Relativistic state-specific multireference perturbation theory incorporating improved virtual orbitals Application to the ground state single-bond dissociation

Relativistic state-specific multireference perturbation theory incorporating improved virtual orbitals : Application to the ground state single-bond dissociation

© 2015 Wiley Periodicals, Inc.

Bibliographische Detailangaben
Veröffentlicht in:Journal of computational chemistry. - 1984. - 36(2015), 26 vom: 05. Okt., Seite 1954-72
1. Verfasser: Ghosh, Anirban (VerfasserIn)
Weitere Verfasser: Chaudhuri, Rajat K, Chattopadhyay, Sudip, Mahapatra, Uttam Sinha
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2015
Zugriff auf das übergeordnete Werk:Journal of computational chemistry
Schlagworte:Journal Article IVO-CASCI SSMRPT alkali dimers diatomic halogens four-component relativistic spinors full dissociation energy curves spectroscopic constants
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