VALENCE ELECTRON STUDIES WITH GAUSSIAN-BASED MODEL POTENTIALS AND GAUSSIAN BASIS FUNCTIONS .3. APPLICATIONS TO 2-VALENCE-ELECTRON SYSTEMS COMPOSED OF COMBINATIONS OF LI, NA, H, OR THEIR UNIPOSITIVE IONS

被引：34

作者：

SWITALSKI, JD

HUANG, JTJ

SCHWARTZ, ME

机构：

[1] UNIV NOTRE DAME, DEPT CHEM, NOTRE DAME, IN 46556 USA

[2] UNIV NOTRE DAME, RADIAT LAB, NOTRE DAME, IN 46556 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 1974年 / 60卷 / 06期

关键词：

D O I：

10.1063/1.1681354

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：2252 / 2254

页数：3

共 12 条

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[2] AB-INITIO EFFECTIVE POTENTIALS FOR USE IN MOLECULAR CALCULATIONS
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GODDARD, WA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (06) : 2685 - &
[3] VALENCE-ELECTRON-ONLY CALCULATIONS OF ELECTRONIC-STRUCTURE
KLEINER, M
MCWEENY, R
[J]. CHEMICAL PHYSICS LETTERS, 1973, 19 (04) : 476 - 479
[4] RAFFENETTI RC, 1971, THESIS IOWA STATE U
[5] STUDIES OF VALENCE AND CORE ELECTRON BINDING-ENERGIES BY A VALENCE-ELECTRON MOLECULAR-ORBITAL THEORY BASED ON MODEL POTENTIALS
SCHWARTZ, ME
[J]. FARADAY DISCUSSIONS, 1972, 54 : 21 - 25
[6] COMPARISON OF VALENCE-ONLY MODEL POTENTIAL AND ALL-ELECTRON AB-INITIO LCAO-SCF-MO STUDIES OF LI2 AND LIH
SCHWARTZ, ME
[J]. CHEMICAL PHYSICS LETTERS, 1973, 21 (02) : 314 - 315
[7] VALENCE ELECTRON STUDIES WITH GAUSSIAN-BASED MODEL POTENTIALS AND GAUSSIAN BASIS FUNCTIONS .1. GENERAL DISCUSSION AND APPLICATIONS TO LOWEST S AND P STATES OF LI AND NA
SCHWARTZ, ME
SWITALSKI, JD
[J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (10) : 4125 - +
[8] VALENCE ELECTRON STUDIES WITH GAUSSIAN-BASED MODEL POTENTIALS AND GAUSSIAN BASIS FUNCTIONS .2. DISCUSSION OF ONE-VALENCE-ELECTRON MOLECULAR THEORY AND APPLICATIONS TO LI2+, NA2+, AND LIH+
SCHWARTZ, ME
SWITALSKI, JD
[J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (10) : 4132 - +
[9] NEW MODEL POTENTIAL FOR PSEUDOPOTENTIAL CALCULATIONS
SIMONS, G
[J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (02) : 756 - &
[10] PSEUDOPOTENTIAL THEORY OF ATOMS AND MOLECULES .I. A NEW METHOD FOR CALCULATION OF CORRELATED PAIR FUNCTIONS
SZASZ, L
[J]. JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (02) : 679 - &

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