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quant-ph2025
Paying attention to long-range electron correlation: a size-independent deep-learning approach to predicting molecules' electronic energies from one- and two-electron integrals
Valerii Chuiko, Giovanni B. Da Rosa, Paul W. Ayers
We propose a descriptor for molecular electronic structure that is based solely on the one- and two-electron integrals but is translationally, rotationally, and unitarily invariant…
quant-ph2023★ 1 cited
A Size-Consistent Wave-function Ansatz Built from Statistical Analysis of Orbital Occupations
Valerii Chuiko, Paul W. Ayers
Direct approaches to the quantum many-body problem suffer from the so-called "curse of dimensionality": the number of parameters needed to fully specify the exact wavefunction grow…