Efficient generation of distributed spherical gaussian basis sets for molecules

International Journal of Quantum Chemistry

Volumn 102, Issue 4, 2005, Pages 353-367

  Makarewicz, J ^a   Glushkov, V N ^b  

^a ADAM MICKIEWICZ UNIVERSITY   (Poland)

^b OLES HONCHAR DNIPRO NATIONAL UNIVERSITY   (Ukraine)

Author keywords

Basis set; Gaussian function; HF theory; Optimization; Variational method

Indexed keywords

FUNCTIONS; HELIUM; LITHIUM COMPOUNDS; OPTIMIZATION; POLARIZATION; QUANTUM THEORY; SET THEORY;

BASIS SET; GAUSSIAN FUNCTION; HF THEORY; VARIATIONAL METHOD;

MOLECULAR PHYSICS;

EID: 17644417831     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20397     Document Type: Article

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