A structure-preserving low-rank factorization of 2RDMs achieves linear effective rank scaling with ~99% compression for octane while retaining chemical accuracy and enabling quadratic-memory interpolation in ab initio workflows.
An atomic orbital-based reformulation of energy gradients in second-order Møller–Plesset perturbation theory , year =
1 Pith paper cite this work. Polarity classification is still indexing.
1
Pith paper citing it
citation-role summary
background 1
citation-polarity summary
fields
physics.chem-ph 1years
2026 1verdicts
UNVERDICTED 1roles
background 1polarities
background 1representative citing papers
citing papers explorer
-
Low-rank compression of two-electron reduced density matrices
A structure-preserving low-rank factorization of 2RDMs achieves linear effective rank scaling with ~99% compression for octane while retaining chemical accuracy and enabling quadratic-memory interpolation in ab initio workflows.