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Paper Citation Record · LEDGER

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking

As of 17 August 2026, this Paper Citation Record lists 100 of 121 outbound references and 11 inbound Pith citation observations for arXiv:2506.19960.

A citation records a reference. It does not transfer a finding from one paper to another.

pith.paper-citation-record.v1
2506.19960 v1

Coverage vector

measured 100 of 121 reference resolution

Typed states for the displayed outbound observations.

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One-hop event checks from named stored sources.

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measured 11 of 11 inbound itemization

Pith citing papers itemized under the disclosed page cap.

Source: paper_references, paper_reference_links, observed 2026-08-16T00:34:51.512493Z

measured 1 of 1 external citation measurements

A source-named dated measurement, never combined with another source.

Source: arxiv_reference, observed 2026-08-05T02:28:24.338817Z

Reference resolution

100 of 121 outbound references displayed

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External citation measurements

1
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Outbound references

Observation a1b133cc-3559-4844-b7bd-f72f464376ce · outbound

This paper cites An undulatory theory of the mechanics of atoms and molecules.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking An undulatory theory of the mechanics of atoms and molecules

Reference 1

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Observation aa222507-78ce-4586-b770-04dfbb05b4a8 · outbound

This paper cites Noniterative energy cor- rections through fifth-order to the coupled cluster singles and doubles method.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Noniterative energy cor- rections through fifth-order to the coupled cluster singles and doubles method

Reference 2

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Observation e59f8217-9c9c-4e4b-95f1-5d61168659bc · outbound

This paper cites Ab initio quantum chemistry with neural- network wavefunctions.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Ab initio quantum chemistry with neural- network wavefunctions

Reference 3

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Observation 3d758a22-130e-4959-a5cf-25418626c0ec · outbound

This paper cites Deep-neural-network solution of the electronic Schr¨ odinger equation.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Deep-neural-network solution of the electronic Schr¨ odinger equation

Reference 4

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Observation eae3d65c-96af-423c-97eb-30b87c228c35 · outbound

This paper cites Ab initio solution of the many-electron Schr¨ odinger equation with deep neural networks.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Ab initio solution of the many-electron Schr¨ odinger equation with deep neural networks

Reference 5

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Unresolved cited work

Reference 6

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Observation 404ba2cc-088c-47a8-bb70-4cf716f53067 · outbound

This paper cites A Self-Attention Ansatz for Ab-initio Quantum Chemistry.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking A Self-Attention Ansatz for Ab-initio Quantum Chemistry

Reference 7

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Observation fc54e83d-66a5-4209-9234-5dc83437e032 · outbound

This paper cites Gold-standard solutions to the Schr¨ odinger equation using deep learning: How much physics do we need?.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Gold-standard solutions to the Schr¨ odinger equation using deep learning: How much physics do we need?

Reference 8

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This paper cites DeepQMC: An open-source software suite for variational optimization of deep-learning molecular wave functions.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking DeepQMC: An open-source software suite for variational optimization of deep-learning molecular wave functions

Reference 9

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This paper cites Explicitly antisymmetrized neural network layers for variational Monte Carlo simulation.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Explicitly antisymmetrized neural network layers for variational Monte Carlo simulation

Reference 10

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Observation 144d9fc6-c0e2-494c-b05a-5eff0f9c76bb · outbound

This paper cites Fermionic neural network with effective core potential.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Fermionic neural network with effective core potential

Reference 12

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Observation 672db6da-ef24-405c-8d7b-9ea0542d9109 · outbound

This paper cites Neural network ansatz for periodic wave functions and the homogeneous electron gas.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Neural network ansatz for periodic wave functions and the homogeneous electron gas

Reference 13

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Observation 4c28b60f-f627-4e4f-ae99-c7dce5d1b053 · outbound

This paper cites Discovering quantum phase transitions with fermionic neural networks.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Discovering quantum phase transitions with fermionic neural networks

Reference 14

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This paper cites Neural-network quantum states for ultra-cold Fermi gases.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Neural-network quantum states for ultra-cold Fermi gases

Reference 15

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking A computational framework for neural network- based variational Monte Carlo with Forward Laplacian

Reference 16

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Observation ae5d6152-300b-4925-b070-de7a53b8306e · outbound

This paper cites An improved penalty-based excited-state variational Monte Carlo approach with deep-learning ansatzes.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking An improved penalty-based excited-state variational Monte Carlo approach with deep-learning ansatzes

Reference 17

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Observation ca15059d-6ba6-4282-8a86-d0fa6c45ec73 · outbound

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Accurate computation of quantum excited states with neural networks

Reference 18

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This paper cites Highly accurate real-space electron densities with neural networks.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Highly accurate real-space electron densities with neural networks

Reference 19

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Observation 438db3e9-44db-425d-9c5c-e08e89686790 · outbound

This paper cites Accurate Ab-initio Neural-network Solutions to Large-Scale Electronic Structure Problems.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Accurate Ab-initio Neural-network Solutions to Large-Scale Electronic Structure Problems

Reference 20

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Observation 146915e6-d58e-4951-bc4a-eefeac7eeec1 · outbound

This paper cites Solving the electronic Schr¨ odinger equation for multiple nuclear geometries with weight-sharing deep neural 10 networks.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Solving the electronic Schr¨ odinger equation for multiple nuclear geometries with weight-sharing deep neural 10 networks

Reference 21

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This paper cites Ab-Initio Potential Energy Surfaces by Pairing GNNs with Neural Wave Functions.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Ab-Initio Potential Energy Surfaces by Pairing GNNs with Neural Wave Functions

Reference 22

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Generalizing neural wave func- tions

Reference 23

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Neural Pfaffians: Solving Many Many-Electron Schr\"odinger Equations

Reference 24

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This paper cites Ab-initio simulation of excited-state potential energy surfaces with transferable deep quantum Monte Carlo.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Ab-initio simulation of excited-state potential energy surfaces with transferable deep quantum Monte Carlo

Reference 25

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This paper cites Variational Monte Carlo on a Budget—Fine-tuning pre-trained Neural Wavefunc- tions.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Variational Monte Carlo on a Budget—Fine-tuning pre-trained Neural Wavefunc- tions

Reference 26

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Towards a transfer- able fermionic neural wavefunction for molecules

Reference 27

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Kinetics of diene reactions at high temperatures

Reference 28

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Thermal decompo- sition of cyclohexene

Reference 29

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This paper cites The Diels–Alder Re- action of Ethene and 1,3-Butadiene: An Extended Multirefer- ence ab initio Investigation.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking The Diels–Alder Re- action of Ethene and 1,3-Butadiene: An Extended Multirefer- ence ab initio Investigation

Reference 30

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking A thorough understanding of the Diels—Alder reaction of 1,3-butadiene and ethylene

Reference 31

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Active space and basis set effects in CASPT2 models of the 1,3-butadiene-ethene cycloaddition and the 1,3-butadiene dimerization

Reference 32

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Synthesen in der hydroaromatischen Reihe

Reference 33

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking BSE49, a diverse, high-quality benchmark dataset of separation energies of chemical bonds

Reference 34

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Attention Is All You Need

Reference 35

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Kharya.TensorFloat-32 in the A100 GPU Accelerates AI Training, HPC up to 20x

Reference 36

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Gao et al.folx - Forward Laplacian for JAX

Reference 37

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Observation 02fe4ff7-3e44-4dbc-afa7-ff2191f5f369 · outbound

This paper cites FlashAttention: Fast and Memory-Efficient Exact Attention with IO-Awareness.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking FlashAttention: Fast and Memory-Efficient Exact Attention with IO-Awareness

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Observation 55ca16a9-2cff-46a1-a52d-b32536ea549e · outbound

This paper cites 2023.url: https://docs.jax.dev/en/latest/pallas/index.html.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking 2023.url: https://docs.jax.dev/en/latest/pallas/index.html

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Observation 545278c4-83c0-4c88-9fb7-af2b0d8446ec · outbound

This paper cites Representations of knowl- edge in complex systems.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Representations of knowl- edge in complex systems

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Observation fc8eb633-1079-4da8-8406-dee3e924e479 · outbound

This paper cites Multirefer- ence character for 3d transition-metal-containing molecules.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Multirefer- ence character for 3d transition-metal-containing molecules

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Observation 4a024421-a570-48f6-aea0-c5ab0394ca53 · outbound

This paper cites Curriculum learning.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Curriculum learning

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Observation 9befa308-28f1-4db2-a09e-b0d0a345481f · outbound

This paper cites Quantum Monte Carlo simulations of solids.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Quantum Monte Carlo simulations of solids

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Observation 96d3c538-92e6-44f9-8468-10493e584748 · outbound

This paper cites Continuum variational and diffusion quan- tum Monte Carlo calculations.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Continuum variational and diffusion quan- tum Monte Carlo calculations

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Observation db782660-f18d-420c-8165-419865c8180e · outbound

This paper cites Solving the quantum many-body problem with artificial neural networks.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Solving the quantum many-body problem with artificial neural networks

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Observation f81fc871-8454-47b4-bbf6-5215164fe8a2 · outbound

This paper cites Molecular orbital theory.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Molecular orbital theory

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Observation ba6f8745-ab06-4b2a-8281-105cb11ca467 · outbound

This paper cites Localized molecular orbitals for poly- atomic molecules. I. A comparison of the Edmiston-Ruedenberg and Boys localization methods.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Localized molecular orbitals for poly- atomic molecules. I. A comparison of the Edmiston-Ruedenberg and Boys localization methods

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Observation 9f9d7249-5ce3-48d4-8872-6882ae1882a4 · outbound

This paper cites Helgaker, P.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Helgaker, P

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Observation 4d63be11-ed2b-493d-88c8-87e6263ccccb · outbound

This paper cites Localizability of dynamic electron correlation.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Localizability of dynamic electron correlation

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Observation 06bfc96f-e0e6-4c76-8436-b8396ac1c664 · outbound

This paper cites Large scale and linear scaling DFT with the CONQUEST code.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Large scale and linear scaling DFT with the CONQUEST code

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Observation 04488927-7c4c-424d-8f06-30a62be9f878 · outbound

This paper cites Linear-scaling local natural orbital CCSD(T) approach for open-shell systems: Algorithms, benchmarks, and large-scale applications.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Linear-scaling local natural orbital CCSD(T) approach for open-shell systems: Algorithms, benchmarks, and large-scale applications

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Observation 9d8c7d8a-15c6-4304-a147-9a2de7f46bf8 · outbound

This paper cites On the concepts of connectivity, separability, and consistency: An illustration by partitioned diagrams and nu- merical probing.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking On the concepts of connectivity, separability, and consistency: An illustration by partitioned diagrams and nu- merical probing

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Observation 58feac24-11af-4338-a40a-954691d79474 · outbound

This paper cites Bradbury et al.JAX: composable transformations of Python+NumPy programs.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Bradbury et al.JAX: composable transformations of Python+NumPy programs

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Observation 4cc7c07d-b792-45c5-9d74-968c5f3b4a87 · outbound

This paper cites Spin contamination in quantum Monte Carlo wave functions.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Spin contamination in quantum Monte Carlo wave functions

Reference 54

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Observation a8506cfb-bc5e-48ce-81a8-4950c35fe375 · outbound

This paper cites On the eigenfunctions of many-particle systems in quantum mechanics.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking On the eigenfunctions of many-particle systems in quantum mechanics

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Observation d8ba9876-d2cb-479b-93dc-eec7dc4318cf · outbound

This paper cites Layer normalization.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Layer normalization

Reference 56

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Observation 2952c159-2cc2-442c-b1fb-9c320bf23620 · outbound

This paper cites Learning Deep Transformer Models for Machine Translation.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Learning Deep Transformer Models for Machine Translation

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Observation 49938ea6-8e17-449c-90d5-705d3c89afc2 · outbound

This paper cites Do transformers really perform badly for graph representation?.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Do transformers really perform badly for graph representation?

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Observation 4531e8e3-96e1-4e30-9f5d-bf05988c0f59 · outbound

This paper cites Neural message passing for quantum chem- istry.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Neural message passing for quantum chem- istry

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Observation 736794f6-6d2d-410f-9c05-845529252f7c · outbound

This paper cites Message passing neural networks.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Message passing neural networks

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Observation 52546fbc-60cd-465d-91d8-0c29397b0f44 · outbound

This paper cites Equation of state calculations by fast computing machines.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Equation of state calculations by fast computing machines

Reference 61

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Observation 06462432-bbe7-430a-aa77-bae9f2a429d7 · outbound

This paper cites Generative Modeling by Estimating Gradients of the Data Distribution.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Generative Modeling by Estimating Gradients of the Data Distribution

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Observation c8490906-52de-4f86-a5b4-b348ffe2ac57 · outbound

This paper cites Exponential convergence of Langevin distributions and their discrete approximations.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Exponential convergence of Langevin distributions and their discrete approximations

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Observation 9622a37a-4921-436c-a21e-efb7d4a70fad · outbound

This paper cites Optimal scaling of discrete approximations to Langevin diffusions.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Optimal scaling of discrete approximations to Langevin diffusions

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Observation 66bc1211-49f5-4471-892e-613b6cbb56b4 · outbound

This paper cites Annealed importance sampling.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Annealed importance sampling

Reference 65

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Observation d9094960-e910-41ee-9a8f-a317ba1a81c3 · outbound

This paper cites Bayesian learning via stochastic gradient Langevin dynamics.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Bayesian learning via stochastic gradient Langevin dynamics

Reference 66

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Observation 67982e6c-2635-4d4d-aa28-838fb7093430 · outbound

This paper cites Optimizing neural networks with kronecker-factored approximate curvature.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Optimizing neural networks with kronecker-factored approximate curvature

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Observation edcc1244-3636-4e34-98d6-4a5406eff907 · outbound

This paper cites Botev and J.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Botev and J

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Observation 70edf40f-f682-4e26-83fb-0434643e679e · outbound

This paper cites Clayden, N.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Clayden, N

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verified fuzzy
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Observation cf5dbbdc-a75f-4d49-982b-898ab1bacd67 · outbound

This paper cites 200 years of lithium and 100 years of organolithium chemistry.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking 200 years of lithium and 100 years of organolithium chemistry

Reference 70

Resolution
verified fuzzy
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Source-reported events for the cited work

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Observation b7a348ec-0f2c-4f65-8ccc-3dc103464d0d · outbound

This paper cites The rise of boron-containing compounds: advancements in synthesis, medicinal chemistry, and emerging pharmacology.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking The rise of boron-containing compounds: advancements in synthesis, medicinal chemistry, and emerging pharmacology

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Source-reported events for the cited work

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Observation c400c1e4-911d-401b-a866-e818052edeab · outbound

This paper cites Achieving chemical accu- racy with coupled-cluster theory.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Achieving chemical accu- racy with coupled-cluster theory

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verified fuzzy
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Observation 1b3f7e24-6cc5-4c51-965e-513b5e8650c5 · outbound

This paper cites Practical conversion from torsion space to Cartesian space for in silico protein synthesis.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Practical conversion from torsion space to Cartesian space for in silico protein synthesis

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verified fuzzy
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Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.

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Observation dcb49588-265c-43af-b518-81077ab7821f · outbound

This paper cites Adaptive rejection sampling for Gibbs sampling.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Adaptive rejection sampling for Gibbs sampling

Reference 74

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verified fuzzy
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Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.

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Observation 3f3589b0-a6de-44ff-96cc-fc2a871f8888 · outbound

This paper cites Robust estimation of a location parameter.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Robust estimation of a location parameter

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verified fuzzy
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Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.

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Observation 9fb3fbb0-2209-41fa-80fd-1d250606a3e3 · outbound

This paper cites PySCF: the Python-based simulations of chem- istry framework.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking PySCF: the Python-based simulations of chem- istry framework

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Observation bb8d4de7-5327-42d1-becc-a57ba85e2816 · outbound

This paper cites Nudged elastic band method for finding minimum energy paths of transitions.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Nudged elastic band method for finding minimum energy paths of transitions

Reference 77

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Observation 458041fa-527f-40aa-9c80-b76916fdf6dd · outbound

This paper cites A climbing image nudged elastic band method for finding saddle points and minimum energy paths.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking A climbing image nudged elastic band method for finding saddle points and minimum energy paths

Reference 78

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Observation 5b340647-5af3-47fc-815b-29159687c253 · outbound

This paper cites An automated nudged elastic band method.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking An automated nudged elastic band method

Reference 79

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Observation 8997e3f0-d53f-4606-bf87-0487cd603d0a · outbound

This paper cites The atomic simulation environment—a Python library for working with atoms.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking The atomic simulation environment—a Python library for working with atoms

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Observation 2e2d65be-e296-42f0-92ef-6e8d87e9ebe2 · outbound

This paper cites Generalized gradi- ent approximation made simple.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Generalized gradi- ent approximation made simple

Reference 81

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Observation 4e71357c-5bce-4039-9f65-9ea2035fbedf · outbound

This paper cites Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy

Reference 82

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Observation 061f0b4d-552d-4451-9a09-4f9fbe62c2ed · outbound

This paper cites A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

Reference 83

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Observation 80127631-38af-4813-a43a-1d1b22b8b323 · outbound

This paper cites Effect of the damping function in dispersion corrected density functional theory.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Effect of the damping function in dispersion corrected density functional theory

Reference 84

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Observation e186d0f0-5f1e-40b9-87f2-f1af8c80a81a · outbound

This paper cites Software update: the ORCA program system, ver- sion 5.0.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Software update: the ORCA program system, ver- sion 5.0

Reference 85

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Observation 9234b185-1901-4d5a-8a4d-79fa77f018ae · outbound

This paper cites Improved initial guess for minimum energy path calculations.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Improved initial guess for minimum energy path calculations

Reference 86

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No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.

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Observation e9074061-36f1-4c84-96c3-3916aa64d6ec · outbound

This paper cites Structural relaxation made simple.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Structural relaxation made simple

Reference 87

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No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.

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Observation b13132f5-50d0-408c-a562-4b6bdf24e234 · outbound

This paper cites Kohn-Sham density functional theory: predicting and understanding chemistry.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Kohn-Sham density functional theory: predicting and understanding chemistry

Reference 88

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Observation 2428a37f-9d99-466f-accd-89a4dc364fad · outbound

This paper cites Self-consistent field theory for open shells of electronic systems.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Self-consistent field theory for open shells of electronic systems

Reference 89

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Observation abbb48e3-a27d-4d55-a46d-e4c592af20d0 · outbound

This paper cites A general second order complete active space self-consistent-field solver for large-scale systems.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking A general second order complete active space self-consistent-field solver for large-scale systems

Reference 90

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Observation fbd56932-0ad6-4368-83d1-e480d5de3ba1 · outbound

This paper cites Introduction of n-electron valence states for multireference perturbation theory.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Introduction of n-electron valence states for multireference perturbation theory

Reference 92

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Observation 5630190c-5ba1-4114-a578-7ade9bca9721 · outbound

This paper cites Multiconfiguration self-consistent field and multireference configuration interaction methods and applica- tions.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Multiconfiguration self-consistent field and multireference configuration interaction methods and applica- tions

Reference 93

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Observation 2f637a79-35d5-461e-ac2f-afb66a5135a6 · outbound

This paper cites Electron Affinities of the First-row Atoms Revisited. Systematic Basis Sets and Wave Functions.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Electron Affinities of the First-row Atoms Revisited. Systematic Basis Sets and Wave Functions

Reference 94

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Observation ccb6899f-e817-4f58-937d-a1ac4c26b1a1 · outbound

This paper cites Revisiting the atomic natural orbital approach for basis sets: Robust systematic basis sets for explicitly correlated and conventional correlated ab initio methods?.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Revisiting the atomic natural orbital approach for basis sets: Robust systematic basis sets for explicitly correlated and conventional correlated ab initio methods?

Reference 95

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Observation 8e5b5949-e8ad-4772-b9ec-3cd94c3493ea · outbound

This paper cites Density-functional thermochemistry. III. The role of exact exchange.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Density-functional thermochemistry. III. The role of exact exchange

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Observation 2d577ca2-c0b5-4212-832d-97cfc2dba579 · outbound

This paper cites Accurate spin-dependent electron liquid correlation energies for local spin density calcu- lations: a critical analysis.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Accurate spin-dependent electron liquid correlation energies for local spin density calcu- lations: a critical analysis

Reference 97

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Observation ad699146-5a4e-472f-b18d-f85d1537687c · outbound

This paper cites Development of the Colle- Salvetti correlation-energy formula into a functional of the electron density.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Development of the Colle- Salvetti correlation-energy formula into a functional of the electron density

Reference 98

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Observation ef5e42dc-f5cf-48d7-8cbc-cb2749856c5b · outbound

This paper cites Ab initio calculation of vibrational ab- sorption and circular dichroism spectra using density functional force fields.

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Observation 9c70bdfd-a3d8-45de-9038-f860cbfb8164 · outbound

This paper cites Gaussian basis sets of quadruple zeta valence quality for atoms H–Kr.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Gaussian basis sets of quadruple zeta valence quality for atoms H–Kr

Reference 100

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No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.

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Observation 5bc4b2be-0d2f-4aea-9583-c20b501e6896 · outbound

This paper cites Simple DFT-D3: Library first implementation of the D3 dispersion correction.

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Reference 101

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Observation 930247f4-038f-4578-b4fe-6fc57839b3d2 · outbound

This paper cites Zhao and D.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Zhao and D

Reference 102

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Functional Neural Wavefunction Optimization An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking

Reference 13

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Observation 74ef04c1-d94a-4652-8c9d-c51f0b7f41c7 · inbound

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Reference 37

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Attention-Based Foundation Model for Quantum States An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking

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Reference 20

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Reference 15

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Observation 31a0ace1-3bdd-4272-836c-43ab2c66ea47 · inbound

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Reference 38

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