REMOVAL OF CORE ORBITALS IN VALENCE ORBITAL ONLY CALCULATIONS

被引：72

作者：

ZERNER, MC

机构：

来源：

关键词：

D O I：

10.1080/00268977200100961

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

页码：963 / +

共 26 条

[1]

CLEMENTI E, 1963, CHEM PHYS, V38, P2686

[2] Pseudo-potential calculation of atomic interactions [J].

Dalgarnu, A. ;

Bottcher, C. ;

Victor, G. A. .

[3]

FISCHER I, 1952, ARK FYS, V5, P349

[4] DISTRIBUTION OF ELECTRONIC LEVELS IN ALKANES [J].

HOFFMANN, R .

[5]

HOFFMANN R, 1963, J CHEM PHYS, V39, P1937

KOPINECK, HJ .

ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES, 1952, 7 (05) :314-324

LOWDIN, P .

LOWDIN, PO .

[9] PI-ELECTRON APPROXIMATION AND ITS POSSIBLE REFINEMENT [J].

LYKOS, PG ;

PARR, RG .

[10] AN APPROXIMATE MO-LCAO-SCF METHOD INCLUDING OVERLAP [J].

MANNE, R .

THEORETICA CHIMICA ACTA, 1966, 6 (04) :299-&