1.2k citations · 1.7k across the 17 of their papers we have counts for
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Assessing the Orbital-Optimized Unitary Ansatz for Density Cumulant Theory
Jonathon P. Misiewicz, Justin M. Turney, Henry F. Schaefer +1
The previously proposed ansatz for density cumulant theory that combines orbital-optimization and a parameterization of the 2-electron reduced density matrix cumulant in terms of u…
Extended Second-Order Multireference Algebraic Diagrammatic Construction Theory for Charged Excitations
Koushik Chatterjee, Alexander Yu. Sokolov
We report a new implementation of multireference algebraic diagrammatic construction theory (MR-ADC) for simulations of electron attachment and ionization in strongly correlated mo…
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…