A graphical symmetric group approach for a spin adapted full configuration interaction: partitioning of a configuration graph into sets of closed-shell and open-shell graphs-Reference-Cited by-同舟云学术

A graphical symmetric group approach for a spin adapted full configuration interaction: partitioning of a configuration graph into sets of closed-shell and open-shell graphs

Published:2006-10-06 Issue:3 Volume:117 Page:397-405
ISSN:1432-881X
Container-title:Theoretical Chemistry Accounts
language:en
Short-container-title:Theor Chem Acc

Author:

Tanaka Kiyoshi,Mochizuki Yuji,Ishikawa Takeshi,Terashima Hidemi,Tokiwa Hiroaki

Publisher

Springer Science and Business Media LLC

Subject

Physical and Theoretical Chemistry

Link

http://link.springer.com/content/pdf/10.1007/s00214-006-0171-8.pdf

Reference33 articles.

1. Dupis M(ed) (1980) Recent developments and applications of multi-configuration Hartree-Fock methods. LBL-12157 technical report. Lawrence Berkeley Laboratory, Berkeley, CA

2. Werner H-J (1987) Ab initio methods in quantum chemistry-II., pp 1–62, Wiley, New York

3. Roos BO, Taylor PR, Siegbahn PEM (1980). Chem Phys 48:157

4. Siegbahn PEM (1984). Chem Phys Lett 109:417

5. Handy NC (1980). Chem Phys Lett 74:280

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