Relativistic Multireference Perturbation Theory: Complete Active-Space Second-Order Perturbation Theory (CASPT2) With The Four-Component Dirac Hamiltonian-Reference-Cited by-同舟云学术

Relativistic Multireference Perturbation Theory: Complete Active-Space Second-Order Perturbation Theory (CASPT2) With The Four-Component Dirac Hamiltonian

Published:2008 Issue: Volume: Page:157-177
ISSN:2542-4491
Container-title:Challenges and Advances In Computational Chemistry and Physics
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Author:

Abe Minori,Gopakmar Geetha,Nakajima Takahito,Hirao Kimihiko

Publisher

Springer Netherlands

Link

http://link.springer.com/content/pdf/10.1007/978-1-4020-8184-2_6

Reference37 articles.

1. REL4D: Abe M, Iikura H, Kamiya M, Nakajima T, Yanagisawa S, Yanai T.

2. Yanai T, Kamiya M, Kawashima Y, Nakajima T, Nakano H, Nakao Y, Sekino H, Paulovic J, Tsuneda T, Yanagisawa S, Hirao K (2004) The UTChem program package is available on http://utchem.qcl.t.u-tokyo.ac.jp/

3. Visscher L, Visser O, Aerts H, Merenga H, and Nieuwpoort WC (1994) Comput Phys Commun 81: 120.

4. Saue T, Fægri K, Jr, Helgaker T, and Gropen O (1997) Mol Phys 91: 937.

5. Yanai T, Nakajima T, Ishikawa Y, and Hirao K (2001) J Chem Phys 114: 6526.

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