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Accurate basis sets for atomic configuration interaction calculations

✍ Scribed by Ying Ming Poon

Publisher: Elsevier Science
Year: 1983
Tongue: English
Weight: 312 KB
Volume: 29
Category: Article
ISSN: 0010-4655
DOI: 10.1016/0010-4655(83)90066-8

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✦ Synopsis

Hartree-Fock-Slater program and a compatible box potential program are developed to generate complete basis sets for configuration interaction calculations using many-body perturbation theory. Several problems in previous methods are remedied. Examples are given for Pr 3~and Np3ĩons. Good orthogonality between basis functions is obtained even for large values of n and F.

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