APPROXIMATE HARTREE-FOCK WAVEFUNCTIONS ONE-ELECTRON PROPERTIES AND ELECTRONIC STRUCTURE OF WATER MOLECULE

被引：167

作者：

AUNG, S

PITZER, RM

CHAN, SI

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1968年 / 49卷 / 05期

关键词：

D O I：

10.1063/1.1670368

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：2071 / +

页数：1

共 70 条

[11] 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-&

[12] ELECTRIC DIPOLE MOMENT FOR FIRST- AND 2ND-ROW DIATOMIC HYDRIDE MOLECULES AH [J].

CADE, PE ;

HUO, WM .

JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (03) :1063-&

[13] FLUORINE SPIN-ROTATION INTERACTION AND MAGNETIC SHIELDING IN FLUOROBENZENE [J].

CHAN, SI ;

DUBIN, AS .

JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (05) :1745-&

[14] ATOMIC SCREENING CONSTANTS FROM SCF FUNCTIONS [J].

CLEMENTI, E ;

RAIMONDI, DL .

JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (11) :2686-&

[15] OUR KNOWLEDGE OF FUNDAMENTAL CONSTANTS OF PHYSICS AND CHEMISTRY IN 1965 [J].

COHEN, ER ;

DUMOND, JWM .

REVIEWS OF MODERN PHYSICS, 1965, 37 (04) :537-+

[16] HARTREE COMPUTATION OF THE INTERNAL DIAMAGNETIC FIELD FOR ATOMS [J].

DICKINSON, WC .

PHYSICAL REVIEW, 1950, 80 (04) :563-566

[17]

DUNNING TH, UNPUBLISHED WORK

[18] MOLECULAR CALCULATIONS .1. LCAO MO SELF-CONSISTENT FIELD TREATMENT OF THE GROUND STATE OF H2O [J].

ELLISON, FO ;

SHULL, H .

JOURNAL OF CHEMICAL PHYSICS, 1955, 23 (12) :2348-2357

[19] Forces in molecules [J].

Feynman, RP .

PHYSICAL REVIEW, 1939, 56 (04) :340-343

[20] CALCULATION OF 1-ELECTRON PROPERTIES FOR FORMALDEHYDE MOLECULE WITH LCAO MO SCF FUNCTION OF FOSTER AND BOYS [J].

FLYGARE, WH ;

POCHAN, JM ;

KERLEY, GI ;

CAVES, T ;

KARPLUS, M ;

AUNG, S ;

PITZER, RM ;

CHAN, SI .

JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (08) :2793-&

← 1 2 3 4 5 6 7 →