Non-Born-Oppenheimer calculations on the LiH molecule with explicitly correlated Gaussian functions

C. E. Scheu; Donald B. Kinghorn; Ludwik Adamowicz

doi:10.1063/1.1342757

Non-Born-Oppenheimer calculations on the LiH molecule with explicitly correlated Gaussian functions

C. E. Scheu, Donald B. Kinghorn, Ludwik Adamowicz

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

34 Scopus citations

Abstract

The correlated Gaussian basis function is augmented by the addition of premultiplying factors that are powers of the squared internuclear distance. Results of calculations on the LiH molecule are discussed.

Original language	English (US)
Pages (from-to)	3393-3397
Number of pages	5
Journal	Journal of Chemical Physics
Volume	114
Issue number	8
DOIs	https://doi.org/10.1063/1.1342757
State	Published - Feb 22 2001

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1063/1.1342757

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title = "Non-Born-Oppenheimer calculations on the LiH molecule with explicitly correlated Gaussian functions",

abstract = "The correlated Gaussian basis function is augmented by the addition of premultiplying factors that are powers of the squared internuclear distance. Results of calculations on the LiH molecule are discussed.",

author = "Scheu, {C. E.} and Kinghorn, {Donald B.} and Ludwik Adamowicz",

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Non-Born-Oppenheimer calculations on the LiH molecule with explicitly correlated Gaussian functions

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