PNO++: Perturbed Pair Natural Orbitals for Coupled Cluster Linear Response Theory
Author:
Affiliation:
1. Department of Chemistry, Virginia Tech, Blacksburg, Virginia 24061, United States
2. Molecular Sciences Software Institute, 1880 Pratt Drive, Suite 1100, Blacksburg, Virginia 24060, United States
Funder
National Science Foundation
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.0c01086
Reference86 articles.
1. Recent Advances in Wave Function-Based Methods of Molecular-Property Calculations
2. Aspects of Time-Dependent Perturbation Theory
3. Molecular Light Scattering and Optical Activity
4. Ab initio calculation of molecular chiroptical properties
5. Coupled cluster response functions
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