CORRELATED WAVEFUNCTIONS FOR WATER MOLECULE

被引：19

作者：

LUCCHESE, RR ^{[1
]}

CONRAD, MP ^{[1
]}

SCHAEFER, HF ^{[1
]}

机构：

[1] UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720

来源：

JOURNAL OF CHEMICAL PHYSICS | 1978年 / 68卷 / 11期

关键词：

D O I：

10.1063/1.435601

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：5292 / 5294

页数：3

相关论文

共 9 条

[1] STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .1. ENERGY SURFACE OF A WATER MOLECULE IN FIELD OF A LITHIUM POSITIVE-ION
CLEMENTI, E
POPKIE, H
[J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (03) : 1077 - &
[2] NEAR HARTREE-FOCK CALCULATIONS ON GROUND STATE OF WATER MOLECULE - ENERGIES, IONIZATION POTENTIALS, GEOMETRY, FORCE CONSTANTS, AND ONE-ELECTRON PROPERTIES
DUNNING, TH
AUNG, S
PITZER, RM
[J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (12) : 5044 - +
[3] AN LCAO MO SELF-CONSISTENT FIELD CALCULATION OF THE GROUND STATE OF H2O
ELLISON, FO
SHULL, H
[J]. JOURNAL OF CHEMICAL PHYSICS, 1953, 21 (08) : 1420 - 1421
[4] KERN CW, 1972, WATER COMPREHENSIVE, V1, pCH2
[5] FORMULATION OF DIRECT CONFIGURATION INTERACTION METHOD FOR TRIPLET SPIN STATES - APPLICATIONS TO GLYOXAL
LUCCHESE, RR
SCHAEFER, HF
[J]. JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (02) : 769 - 774
[6] Meyer W., 1971, INT J QUANTUM CHEM, V5, P341, DOI [10.1002/qua.560050839, DOI 10.1002/QUA.560050839]
[7] ROOS BO, 1972, CHEM PHYS LETT, V15, P152
[8] SCHAEFER HF, 1972, ELECTRONIC STRUCTURE
[9] VANDUIJNEVELDT FB, 1971, RJ945 IBM RES REP