POTENTIAL-ENERGY SURFACES FOR H + LI2 -] LIH + LI GROUND-STATE SURFACE FROM LARGE-SCALE CONFIGURATION INTERACTION

被引：47

作者：

SIEGBAHN, P

SCHAEFER, HF

机构：

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

[2] UNIV CALIF,LAWRENCE BERKELEY LAB,BERKELEY,CA

来源：

JOURNAL OF CHEMICAL PHYSICS | 1975年 / 62卷 / 09期

关键词：

D O I：

10.1063/1.430985

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：3488 / 3495

页数：8

共 33 条

[1] EXCITED ELECTRONIC STATES OF LITHIUM AND SODIUM MOLECULES [J].

BARROW, RF ;

TRAVIS, N ;

WRIGHT, CV .

NATURE, 1960, 187 (4732) :141-142

[2] AVOIDED INTERSECTION OF POTENTIAL-ENERGY SURFACES - (H+ + H2, H + H+/2) SYSTEM [J].

BAUSCHLI.CW ;

ONEIL, SV ;

PRESTON, RK ;

SCHAEFER, HF ;

BENDER, CF .

JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (03) :1286-1292

[3] POTENTIAL-ENERGY SURFACE INCLUDING ELECTRON CORRELATION FOR F+H2-]FH+H - REFINED LINEAR SURFACE [J].

BENDER, CF ;

SCHAEFER, HF ;

PEARSON, PK ;

ONEIL, SV .

SCIENCE, 1972, 176 (4042) :1412-&

[4]

Bunker D.L., 1971, METHODS COMPUTATIONA, V10, P287

[5] 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-&

[6] APPLICATIONS OF DIATOMICS-IN-MOLECULES THEORY .I. PREDICTION OF STABLE LIH2 AND LI2H MOLECULES [J].

COMPANION, AL .

JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (03) :1186-+

[7]

COMPANION AL, TO BE PUBLISHED

[8] EXTENDED HARTREE-FOCK GROUND-STATE WAVEFUNCTIONS FOR LITHIUM MOLECULE [J].

DAS, G .

JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (05) :1568-&

[9] A METHOD OF DIATOMICS IN MOLECULES .1. GENERAL THEORY AND APPLICATION TO H2O [J].

ELLISON, FO .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1963, 85 (22) :3540-&

[10] IONIZATION POTENTIALS OF CLUSTERED ALKALI METAL ATOMS [J].

FOSTER, PJ ;

LECKENBY, RE ;

ROBBINS, EJ .

JOURNAL OF PHYSICS PART B ATOMIC AND MOLECULAR PHYSICS, 1969, 2 (04) :478-&

← 1 2 3 4 →