Henry F. Schaefer

Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

Yihan Shao, Zhengting Gan, Evgeny Epifanovsky et al. · Molecular Physics · 2014 · 3.1K citations

Natural Sciences, Chemistry, Physics +17

An efficient reformulation of the closed-shell coupled cluster single and double excitation (CCSD) equations

Gustavo E. Scuseria, Curtis L. Janssen, Henry F. Schaefer · The Journal of Chemical Physics · 1988 · 1.7K citations

Natural Sciences, Computer Science, Computational Chemistry +14

<scp>Psi4</scp> 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability

Robert M. Parrish, Lori A. Burns, Daniel G. A. Smith et al. · Journal of Chemical Theory and Computation · 2017 · 1.2K citations · Full text

Natural Sciences, Chemistry, Physics +17

Is coupled cluster singles and doubles (CCSD) more computationally intensive than quadratic configuration interaction (QCISD)?

Gustavo E. Scuseria, Henry F. Schaefer · The Journal of Chemical Physics · 1989 · 1.2K citations

Natural Sciences, Physics, Computational Chemistry +14

Psi4: an open‐source <i>ab initio</i> electronic structure program

Justin M. Turney, Andrew C. Simmonett, Robert M. Parrish et al. · Wiley Interdisciplinary Reviews Computational Molecular Science · 2011 · 1.1K citations

Natural Sciences, Chemistry, High-performance Computing +17