MOLCAS 7: The Next Generation-Reference-Cited by-同舟云学术

MOLCAS 7: The Next Generation

Published:2010-01-15 Issue:1 Volume:31 Page:224-247
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Aquilante Francesco,De Vico Luca,FerrÃ© Nicolas,Ghigo Giovanni,Malmqvist Per-Ã¥ke,NeogrÃ¡dy Pavel,Pedersen Thomas Bondo,PitonÌÃ¡k Michal,Reiher Markus,Roos BjÃ¶rn O.,Serrano-AndrÃ©s Luis,Urban Miroslav,Veryazov Valera,Lindh Roland

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.21318/fullpdf

Reference200 articles.

1. Bj�rn?s top ten

2. A new method for large-scale Cl calculations

3. A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approach

4. The complete active space SCF (CASSCF) method in a Newton–Raphson formulation with application to the HNO molecule

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