Multiconfigurational Second-Order Perturbation Theory Restricted Active Space (RASPT2) Method for Electronic Excited States: A Benchmark Study
Contributeurs/tricesSauri, Vicenta; Serrano-Andrés, Luis; Moughal Shahi, Abdul Rehaman; Gagliardi, Laura; Vancoillie, Steven; Pierloot, Kristine
Publié dansJournal of chemical theory and computation, vol. 7, no. 1, p. 153-168
Date de publication2011
Résumé
Structure d'affiliation
Citation (format ISO)
SAURI, Vicenta et al. Multiconfigurational Second-Order Perturbation Theory Restricted Active Space (RASPT2) Method for Electronic Excited States: A Benchmark Study. In: Journal of chemical theory and computation, 2011, vol. 7, n° 1, p. 153–168. doi: 10.1021/ct100478d
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Article (Published version)
Identifiants
- PID : unige:14808
- DOI : 10.1021/ct100478d
ISSN du journal1549-9618