ANGULAR-DEPENDENCE OF GAUSSIAN-LOBE ORBITALS .1. ANALYSIS OF STANDARD P-ORBITALS AND D-ORBITALS

被引:13
作者
LEROUZO, H [1 ]
SILVI, B [1 ]
机构
[1] UNIV PARIS 06, SPECTROCHIM MOLEC LAB, F-75005 PARIS, FRANCE
关键词
D O I
10.1002/qua.560130304
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
收藏
页码:297 / 310
页数:14
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共 26 条
[1]   ELECTRONIC WAVE FUNCTIONS .1. A GENERAL METHOD OF CALCULATION FOR THE STATIONARY STATES OF ANY MOLECULAR SYSTEM [J].
BOYS, SF .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1950, 200 (1063) :542-554
[2]  
BRINK DM, 1968, ANGULAR MOMENTUM
[3]   AB-INITIO CALCULATIONS ON ELECTRONIC-SPECTRUM OF ETHANE [J].
BUENKER, RJ ;
PEYERIMHOFF, SD .
CHEMICAL PHYSICS, 1975, 8 (1-2) :56-67
[4]   THEORETICAL ANALYSIS OF EFFECTS OF HYDROGENATION IN HYDROCARBONS - ACCURATE SCF MO WAVEFUNCTIONS FOR C2H2 C2H4 AND C2H6 [J].
BUENKER, RJ ;
PEYERIMHOFF, SD ;
WHITTEN, JL .
JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (06) :2029-+
[5]   GEOMETRY OF MOLECULES .2. DIBORANE AND ETHANE [J].
BUENKER, RJ ;
PEYERIMHOFF, SD ;
ALLEN, LC ;
WHITTEN, JL .
JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (08) :2835-+
[6]  
COHENTANNOUDJI C, 1973, MECANIQUE QUANTIQUE, V1, P858
[7]   APPROXIMATION OF D-TYPE AND F-TYPE ORBITALS BY SPHERICAL GAUSSIAN FUNCTIONS [J].
DRIESSLER, F ;
AHLRICHS, R .
CHEMICAL PHYSICS LETTERS, 1973, 23 (04) :571-574
[8]  
ERDELIY A, 1953, HIGH TRANSCENDENTAL, V2, P53
[9]   CONFIGURATION INTERACTION STUDIES OF GROUND AND EXCITED STATES OF POLYATOMIC MOLECULES .2. ELECTRONIC STATES AND SPECTRUM OF PYRAZINE [J].
HACKMEYER, M ;
WHITTEN, JL .
JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (09) :3739-+
[10]   GAUSSIAN WAVE FUNCTIONS FOR POLYATOMIC MOLECULES [J].
HARRIS, FE .
REVIEWS OF MODERN PHYSICS, 1963, 35 (03) :558-&