A comparative analysis of pair equations for the H2 molecule

Ludwik Adamowicz

doi:10.1002/qua.560130302

A comparative analysis of pair equations for the H₂ molecule

Ludwik Adamowicz

Research output: Contribution to journal › Article › peer-review

27 Scopus citations

Abstract

The perturbation contributions to the correlation energy of the H₂ molecule are analyzed. This analysis is based on the computer solutions of several two‐electron equations in the Gaussian geminal basis set. The pair equations differ by the choice of the two‐electron interaction potential which may result from distinct infinite summations of correlation diagrams in Rayleigh–Schrödinger perturbation theory.

Original language	English (US)
Pages (from-to)	265-270
Number of pages	6
Journal	International Journal of Quantum Chemistry
Volume	13
Issue number	3
DOIs	https://doi.org/10.1002/qua.560130302
State	Published - Mar 1978
Externally published	Yes

ASJC Scopus subject areas

Atomic and Molecular Physics, and Optics
Condensed Matter Physics
Physical and Theoretical Chemistry

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title = "A comparative analysis of pair equations for the H2 molecule",

abstract = "The perturbation contributions to the correlation energy of the H2 molecule are analyzed. This analysis is based on the computer solutions of several two‐electron equations in the Gaussian geminal basis set. The pair equations differ by the choice of the two‐electron interaction potential which may result from distinct infinite summations of correlation diagrams in Rayleigh–Schr{\"o}dinger perturbation theory.",

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AB - The perturbation contributions to the correlation energy of the H2 molecule are analyzed. This analysis is based on the computer solutions of several two‐electron equations in the Gaussian geminal basis set. The pair equations differ by the choice of the two‐electron interaction potential which may result from distinct infinite summations of correlation diagrams in Rayleigh–Schrödinger perturbation theory.

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A comparative analysis of pair equations for the H₂ molecule

Abstract

ASJC Scopus subject areas

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