T. Daniel Crawford
Molecular Sciences Software Institute(US)Virginia Tech(US)
Publications by Year
Research Areas
Advanced Chemical Physics Studies, Spectroscopy and Quantum Chemical Studies, Molecular spectroscopy and chirality, Atmospheric Ozone and Climate, History and advancements in chemistry
Most-Cited Works
- → Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability(2017)1,217 cited
- → Psi4: an open‐source ab initio electronic structure program(2011)1,053 cited
- → P SI4 1.4: Open-source software for high-throughput quantum chemistry(2020)948 cited
- → An Introduction to Coupled Cluster Theory for Computational Chemists(2000)833 cited
- → Ab initio calculation of molecular chiroptical properties(2005)401 cited
- → The Current State of Ab Initio Calculations of Optical Rotation and Electronic Circular Dichroism Spectra(2007)280 cited