Sims, J.
and Hagstrom, S.
(2015),
Mathematical and computational science issues in high precision Hylleraas-configuration interaction variational calculations: III. Four-electron integrals, Journal of Physics B-Atomic Molecular and Optical Physics
(Accessed December 12, 2024)
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Mathematical and computational science issues in high precision Hylleraas-configuration interaction variational calculations: III. Four-electron integrals
Published
Author(s)
, Stanley A. Hagstrom
Abstract
The four-electron correlated integrals, as well as the X auxiliaryintegral which is new in the four-electron case, arising in Hylleraas-Configuration (Hy-CI) calculations are discussed. The main purpose of this paper is to explore the feasibility of the use of recursive methods for the X auxiliary integrals for all the cases that arise in Hy-CI calculations. The question of calibrating the calculation of these integrals is discussed, as well as ways to improve the work.Citation
Journal of Physics B-Atomic Molecular and Optical Physics
Pub Type
Journals
Keywords
Hylleraas-configuration interaction, Hy-CI, four electron electronic repulsion, X integral.
Citation
Issues
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Created July 17, 2015, Updated February 19, 2017