Harley R. McAlexander

<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

Comparison of Small Molecule and Polymeric Urethanes, Thiourethanes, and Dithiourethanes: Hydrogen Bonding and Thermal, Physical, and Mechanical Properties

Qin Li, Hui Zhou, Douglas A. Wicks et al. · Macromolecules · 2009 · 90 citations

Natural Sciences, Chemistry, Materials Science +17

Simulation of circularly polarized luminescence spectra using coupled cluster theory

Harley R. McAlexander, T. Daniel Crawford · The Journal of Chemical Physics · 2015 · 30 citations

Natural Sciences, Chemistry, Physics +17

Localized optimized orbitals, coupled cluster theory, and chiroptical response properties

Harley R. McAlexander, Taylor J. Mach, T. Daniel Crawford · Physical Chemistry Chemical Physics · 2012 · 29 citations

Natural Sciences, Chemistry, Physics +17

A Comparison of Three Approaches to the Reduced-Scaling Coupled Cluster Treatment of Non-Resonant Molecular Response Properties

Harley R. McAlexander, T. Daniel Crawford · Journal of Chemical Theory and Computation · 2015 · 29 citations

Natural Sciences, Chemistry, Physics +17