Positrons in the PsH dimer form a delocalized molecular orbital producing covalent-like bonding between hydrogen anions with van der Waals bond strength.
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Fixed-node quantum Monte Carlo for moleculesa) b)
2 Pith papers cite this work, alongside 1,003 external citations. Polarity classification is still indexing.
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A reorganized Hartree-Fock framework imposes tunable orbital locality by pairing local degrees of freedom with local solution conditions, maintaining efficient SCF optimization and competitive reaction-energy accuracy.
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Two Protons, Two Positrons, and Four Electrons: Covalent Bond with van der Waals Characteristics
Positrons in the PsH dimer form a delocalized molecular orbital producing covalent-like bonding between hydrogen anions with van der Waals bond strength.
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Approximating Hartree-Fock theory via an efficiently local reformulation
A reorganized Hartree-Fock framework imposes tunable orbital locality by pairing local degrees of freedom with local solution conditions, maintaining efficient SCF optimization and competitive reaction-energy accuracy.