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The Journal of Physical Chemistry. A|January 15, 2026
Analytic Computation of Vibrational Circular Dichroism Spectra Using Configuration Interaction MethodsBrendan M Shumberger, T Daniel CrawfordThe Journal of Physical Chemistry. A|February 10, 2006
Ab initio determination of optical rotatory dispersion in the conformationally flexible molecule (R)-epichlorohydrinMary C Tam, T Daniel CrawfordThe Journal of Chemical Physics|April 26, 2011
Theoretical prediction of new dipole-bound singlet states for anions of interstellar interestRyan C Fortenberry, T Daniel CrawfordThe Journal of Physical Chemistry. A|May 7, 2019
Basis Set Superposition Errors in the Many-Body Expansion of Molecular PropertiesBenjamin G Peyton, T Daniel CrawfordJournal of Chemical Theory and Computation|August 13, 2024
Simulation of Vibrational Circular Dichroism Spectra Using Second-Order Møller-Plesset Perturbation Theory and Configuration Interaction DoublesBrendan M Shumberger, T Daniel CrawfordThe Journal of Chemical Physics|July 21, 2004
Potential energy surface discontinuities in local correlation methodsNicholas J Russ, T Daniel CrawfordThe Journal of Physical Chemistry. A|October 9, 2018
Calculating Optical Rotatory Dispersion Spectra in Solution Using a Smooth Dielectric ModelJ Coleman Howard, T Daniel CrawfordJournal of Chemical Theory and Computation|December 3, 2015
A Comparison of Three Approaches to the Reduced-Scaling Coupled Cluster Treatment of Non-Resonant Molecular Response PropertiesHarley R McAlexander, T Daniel CrawfordThe Journal of Chemical Physics|April 24, 2015
Simulation of circularly polarized luminescence spectra using coupled cluster theoryHarley R McAlexander, T Daniel CrawfordPhysical Chemistry Chemical Physics : PCCP|June 7, 2008
Local correlation domains for coupled cluster theory: optical rotation and magnetic-field perturbationsNicholas J Russ, T Daniel CrawfordPageof 116