Distributed Gaussian basis sets: Variationally optimized s-type sets for the open-shell systems HeH and BeH

International Journal of Quantum Chemistry

Volumn 99, Issue 6, 2004, Pages 903-913

  Glushkov, V N ^a   Wilson, S ^b  

^a OLES HONCHAR DNIPRO NATIONAL UNIVERSITY   (Ukraine)

^b RUTHERFORD APPLETON LABORATORY   (United Kingdom)

Author keywords

Asymptotic method; Distributed Gaussian basis set; Floating spherical Gaussian basis set; Gaussian basis set; Open shells

Indexed keywords

ASYMPTOTIC STABILITY; CALCULATIONS; FINITE DIFFERENCE METHOD; FUNCTIONS; OPEN SYSTEMS; OPTIMIZATION; PARAMETER ESTIMATION; QUANTUM THEORY; SET THEORY;

ASYMPTOTIC METHOD; DISTRIBUTED GAUSSIAN BASIS SET; DISTRIBUTED GAUSSIAN SET; FLOATING SPHERICAL GAUSSIAN BASIS SET; GAUSSIAN BASIC SET; OPEN SHELLS;

MOLECULAR STRUCTURE;

EID: 4544302503     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20143     Document Type: Conference Paper

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