Edward F. Valeev

Estimates of the Ab Initio Limit for π−π Interactions:  The Benzene Dimer

Mutasem Omar Sinnokrot, Edward F. Valeev, C. David Sherrill · Journal of the American Chemical Society · 2002 · 1.3K citations

<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

Engineering, Physics, Electronic Design Automation +13

Sparse maps—A systematic infrastructure for reduced-scaling electronic structure methods. II. Linear scaling domain based pair natural orbital coupled cluster theory

Christoph Riplinger, Peter Pinski, Ute Becker et al. · The Journal of Chemical Physics · 2016 · 1.1K citations

Engineering, Computational Chemistry, Chemistry +16

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 · 1K citations

Engineering, Physics, Computational Approaches +15

Effect of Electronic Polarization on Charge-Transport Parameters in Molecular Organic Semiconductors

Edward F. Valeev, Veaceslav Coropceanu, Demétrio A. da Silva Filho et al. · Journal of the American Chemical Society · 2006 · 849 citations

Engineering, Organic Electronics, Dimer Calculations +20