CRITERIA FOR CONSTRUCTION OF GOOD SELF-CONSISTENT-FIELD MOLECULAR ORBITAL WAVE FUNCTIONS, AND SIGNIFICANCE OF LCAO-MO POPULATION ANALYSIS

被引:669
作者
MULLIKEN, RS
机构
关键词
D O I
10.1063/1.1732476
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:3428 / &
相关论文
共 46 条
[21]   The kinetics of the pyrolysis of n-pyropyl iodide and n-butyl iodide [J].
Jones, JL ;
Ogg, RA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1937, 59 :1931-1939
[22]   Raman effect and constitution problems, XV. Announcement: Rotation isomery in dissolved 1.2-diiodide-ethane. [J].
Kahovec, L ;
Kohlrausch, KWF .
BERICHTE DER DEUTSCHEN CHEMISCHEN GESELLSCHAFT, 1940, 73 :159-162
[23]   STUDY OF THE ELECTRONIC GROUND STATE OF THE AMMONIA MOLECULE [J].
KAPLAN, H .
JOURNAL OF CHEMICAL PHYSICS, 1957, 26 (06) :1704-1713
[24]   LCAO WAVE FUNCTIONS FOR HYDROGEN FLUORIDE WITH HARTREE-FOCK ATOMIC ORBITALS [J].
KARO, AM ;
ALLEN, LC .
JOURNAL OF CHEMICAL PHYSICS, 1959, 31 (04) :968-977
[25]   ACCURATE ELECTRONIC WAVE FUNCTIONS FOR THE H-2 MOLECULE [J].
KOLOS, W ;
ROOTHAAN, CCJ .
REVIEWS OF MODERN PHYSICS, 1960, 32 (02) :219-232
[26]   CORRELATED ORBITALS FOR THE GROUND STATE OF THE HYDROGEN MOLECULE [J].
KOLOS, W ;
ROOTHAAN, CCJ .
REVIEWS OF MODERN PHYSICS, 1960, 32 (02) :205-210
[27]   ELECTRONIC STRUCTURE OF SOME DIATOMIC HYDRIDES [J].
KRAUSS, M .
JOURNAL OF CHEMICAL PHYSICS, 1958, 28 (06) :1021-1026
[28]  
MIZUSHIMA S, 1954, STRUCTURE MOLECULES, P10
[29]   ELECTRONIC POPULATION ANALYSIS ON LCAO-MO MOLECULAR WAVE FUNCTIONS .1. [J].
MULLIKEN, RS .
JOURNAL OF CHEMICAL PHYSICS, 1955, 23 (10) :1833-1840