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Efficient approach to two-center exponential integrals with applications to excited states of molecular hydrogen.

Authors :
Pachucki, Krzysztof
Source :
Physical Review A: Atomic, Molecular & Optical Physics. Aug2013, Vol. 88 Issue 2-A, p1-8. 8p.
Publication Year :
2013

Abstract

A general approach to evaluation of two-center two-electron exponential integrals with arbitrary parameters is presented. The results for the Born-Oppenheimer potential for various excited states of molecular hydrogen with Kolos-Wolniewicz functions are obtained with precision exceeding previous values by about three orders of magnitude. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
10502947
Volume :
88
Issue :
2-A
Database :
Academic Search Index
Journal :
Physical Review A: Atomic, Molecular & Optical Physics
Publication Type :
Periodical
Accession number :
90463819
Full Text :
https://doi.org/10.1103/PhysRevA.88.022507