The generalized method for construction of hybrid orbitals by the maximum overlap method

Autor:	V. Kvasnička, V. Laurinc, I. Hubač
Rok vydání:	1972
Předmět:	Physics Character (mathematics) Atomic orbital Linear combination of atomic orbitals Orbital hybridisation General Physics and Astronomy Molecular orbital Physical and Theoretical Chemistry Molecular physics Slater-type orbital
Zdroj:	Chemical Physics Letters. 13:357-360
ISSN:	0009-2614
DOI:	10.1016/0009-2614(72)80099-x
Popis:	The calculation of the best hybrid atomic orbitals by the maximum overlap method is elaborated for the molecular system of polycentric character. The variational procedure is used to maximize the weighted sum of the overlap integrals.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::e2748cfab51d5c860a4bbf65d18afb32 https://doi.org/10.1016/0009-2614(72)80099-x Zobrazit plný text záznamu