SPIN-GENERALIZED SCF WAVEFUNCTIONS FOR H2O, OH, AND O

被引:24
作者
GUBERMAN, SL
GODDARD, WA
机构
关键词
D O I
10.1063/1.1674258
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:1803 / +
页数:1
相关论文
共 40 条
[1]   APPROXIMATE HARTREE-FOCK WAVEFUNCTIONS ONE-ELECTRON PROPERTIES AND ELECTRONIC STRUCTURE OF WATER MOLECULE [J].
AUNG, S ;
PITZER, RM ;
CHAN, SI .
JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (05) :2071-+
[2]   ELECTRONIC STRUCTURE OF DIATOMIC MOLECULES .6A. HARTREE-FOCK WAVEFUNCTIONS AND ENERGY QUANTITIES FOR GROUND STATES OF FIRST-ROW HYDRIDES AH [J].
CADE, PE ;
HUO, WM .
JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (02) :614-&
[3]   The dipole moment of the C-H bond. [J].
Coulson, CA .
TRANSACTIONS OF THE FARADAY SOCIETY, 1942, 38 :0433-0444
[4]  
DUNNING TH, 2 CAL I TECHN AA NOY
[5]   LOCALIZED ATOMIC AND MOLECULAR ORBITALS . 2 [J].
EDMISTON, C ;
RUEDENBERG, K .
JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (10) :S097-+
[6]   LOCALIZED ATOMIC AND MOLECULAR ORBITALS [J].
EDMISTON, C ;
RUEDENBERG, K .
REVIEWS OF MODERN PHYSICS, 1963, 35 (03) :457-&
[7]  
Edmiston C., 1966, QUANTUM THEORY ATOMS, P263
[8]   Approximation method for the solution of the quantum mechanical multibody problems [J].
Fock, V. .
ZEITSCHRIFT FUR PHYSIK, 1930, 61 (1-2) :126-148
[9]   ROTATION-VIBRATION SPECTRA OF DEUTERATED WATER VAPOR [J].
GAILAR, N ;
PLYLER, EK .
JOURNAL OF CHEMICAL PHYSICS, 1956, 24 (06) :1139-1165
[10]   CORE POLARIZATION AND HYPERFINE STRUCTURE OF B,C,N,O, AND F ATOMS [J].
GODDARD, WA .
PHYSICAL REVIEW, 1969, 182 (01) :48-&