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Cumulant methods for electron-phonon problems. II. The self-consistent cumulant expansion
Paul J. Robinson, Ian S. Dunn, David R. Reichman
In this work we present a self-consistent cumulant expansion (SC-CE) and investigate its accuracy for the one-dimensional Holstein model with and without phonon dispersion. We show…
Cumulant methods for electron-phonon problems. I. Perturbative expansions
Paul J. Robinson, Ian S. Dunn, David R. Reichman
In this work we investigate the ability of the cumulant expansion (CE) to capture one-particle spectral information in electron-phonon coupled systems at both zero and finite tempe…
Recent developments in the PySCF program package
Qiming Sun, Xing Zhang, Samragni Banerjee +46
PYSCF is a Python-based general-purpose electronic structure platform that both supports first-principles simulations of molecules and solids, as well as accelerates the developmen…
Excitation Variance Matching with Limited Configuration Interaction Expansions in Variational Monte Carlo
Paul J. Robinson, Sergio D. Pineda Flores, Eric Neuscamman
In the regime where traditional approaches to electronic structure cannot afford to achieve accurate energy differences via exhaustive wave function flexibility, rigorous approache…