The dirac equation in the algebraic approximation. IX. Matrix dirac-hartree-fock calculations for the HeH and BeH ground states using distributed gaussian basis sets

International Journal of Quantum Chemistry

Volumn 99, Issue 6, 2004, Pages 950-962

  Quiney, H M ^a   Glushkov, V N ^b   Wilson, S ^c  

^a UNIVERSITY OF MELBOURNE   (Australia)

^b OLES HONCHAR DNIPRO NATIONAL UNIVERSITY   (Ukraine)

^c RUTHERFORD APPLETON LABORATORY   (United Kingdom)

Author keywords

Algebraic approximation; BeH; Dirac equation; Dirac Hartree Fock calculations; Distributed Gaussian basis sets; HeH

Indexed keywords

APPROXIMATION THEORY; CALCULATIONS; ELECTRONIC STRUCTURE; MATRIX ALGEBRA; MOLECULAR STRUCTURE; OPTIMIZATION; QUANTUM THEORY; SET THEORY;

ALGEBARIC APPROXIMATION; BERYLLIUM HYDRIDE; DIRAC EQUATION; DIRAC-HARTREE-FOCK CALCULATIONS; DISTRIBUTED GAUSSIAN BASIS SETS; HELIUM HYDRIDE;

BERYLLIUM COMPOUNDS;

EID: 4544352846     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20146     Document Type: Conference Paper

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