T Daniel Crawford

T Daniel Crawford

Virginia Polytechnic Institute and State University - Blacksburg / United States
Natural Sciences / Chemical Sciences
AD Scientific Index ID: 1322590
person_outline T Daniel Crawford's MOST POPULAR ARTICLES
1-) Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and InteroperabilityRM Parrish, LA Burns, DGA Smith, AC Simmonett, AE DePrince III, ...Journal of chemical theory and computation 13 (7), 3185-3197, 201710052017
2-) Psi4: an open‐source ab initio electronic structure programJM Turney, AC Simmonett, RM Parrish, EG Hohenstein, FA Evangelista, ...Wiley Interdisciplinary Reviews: Computational Molecular Science 2 (4), 556-565, 20129632012
3-) An introduction to coupled cluster theory for computational chemistsTD Crawford, HF Schaefer IIIReviews in computational chemistry 14, 33-136, 20079352007
4-) PSI4 1.4: Open-source software for high-throughput quantum chemistryDGA Smith, LA Burns, AC Simmonett, RM Parrish, MC Schieber, ...The Journal of chemical physics 152 (18), 20207482020
5-) Ab initio calculation of molecular chiroptical propertiesTD CrawfordTheoretical Chemistry Accounts 115 (4), 227-245, 20064192006