Unitary group adapted state specific multireference perturbation theory: Formulation and pilot applications

• Material Type: 記事
• Title: Unitary group adapted state specific multireference perturbation theory: Formulation and pilot applications
• Author Heading: Avijit Sen; Sangita Sen; Pradipta Kumar Samanta; Debashis Mukherjee
• Publication Date: 2015-02-16
• Publication Date (W3CDTF): 2015-02-16
• Periodical title: Journal of Computational Chemistry
• No. or year of volume/issue: 36 9
• Volume: 36
• Issue: 9
• Pages: 670-688
• Publication date of volume/issue (W3CDTF): 2015-02-16
• ISSN (Periodical Title): 01928651
• Publication (Periodical Title): Wiley
• Subject Heading: Computational Mathematics; General Chemistry
• Target Audience: 一般
• DOI: 10.1002/jcc.23851
• Date Created (W3CDTF): 2015-02-16
• Rights (production): http://onlinelibrary.wiley.com/termsAndConditions#vor
• Related Material (URI): https://api.wiley.com/onlinelibrary/tdm/v1/articles/10.1002%2Fjcc.23851; https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.23851
• Is Referenced By: Analytic first-order derivatives of CASPT2 with IPEA shift; https://cir.nii.ac.jp/crid/1050859293243419904; Analytic First-Order Derivatives of (X)MS, XDW, and RMS Variants of the CASPT2 and RASPT2 Methods; https://cir.nii.ac.jp/crid/1050859447952719488
• Data Provider (Database): 国立情報学研究所 : CiNii Research; https://cir.nii.ac.jp/
• Original Data Provider (Database): Crossref; https://www.crossref.org

• Summary, etc.: <jats:p>We present here a comprehensive account of the formulation and pilot applications of the second‐order perturbative analogue of the recently pr...