Complete-active-space self-consistent-field and contracted configuration-interaction study of the electron correlation in Ne,F−,Ne+, and F-Reference-Cited by-同舟云学术

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Complete-active-space self-consistent-field and contracted configuration-interaction study of the electron correlation in Ne,F−,Ne+, and F

Published:1982-09-01 Issue:3 Volume:26 Page:1192-1199
ISSN:0556-2791
Container-title:Physical Review A
language:en
Short-container-title:Phys. Rev. A

Author:

Roos Björn O.,Sadlej Andrzej J.,Siegbahn Per E. M.

Publisher

American Physical Society (APS)

Link

http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevA.26.1192/fulltext

Reference51 articles.

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

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

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