Toward an Accurate Ab Initio Description of Low-Lying Singlet Excited States of Polyenes
Author:
Affiliation:
1. Department of Chemistry, Lomonosov Moscow State University, Moscow, 119991, Russia
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.0c01293
Reference92 articles.
1. Benchmarks for electronically excited states: CASPT2, CC2, CCSD, and CC3
2. Multireference quantum chemistry through a joint density matrix renormalization group and canonical transformation theory
3. Multiconfigurational Second-Order Perturbation Theory Restricted Active Space (RASPT2) Method for Electronic Excited States: A Benchmark Study
4. Adaptive Configuration Interaction for Computing Challenging Electronic Excited States with Tunable Accuracy
5. Carotenoids and photoprotection in plants: A role for the xanthophyll zeaxanthin
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