Test of charge-conserving integral approximations for a variable retention of diatomic differential overlap (vrddo) procedure for semi-Ab Initio molecular orbital calculations on large molecules

Autor:	Herbert E. Popkie, Joyce J. Kaufman
Rok vydání:	2009
Předmět:	Chemistry Ab initio Charge (physics) Condensed Matter Physics Molecular physics Diatomic molecule Atomic and Molecular Physics and Optics Zero differential overlap Molecule Molecular orbital Physical and Theoretical Chemistry Atomic physics Fragment molecular orbital Differential (mathematics)
Zdroj:	International Journal of Quantum Chemistry. 9:279-288
ISSN:	1097-461X 0020-7608
DOI:	10.1002/qua.560090727
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::d085231efda46689c390d8aecfd34831 https://doi.org/10.1002/qua.560090727 Zobrazit plný text záznamu Plný text