DISCONTINUOUS APPROXIMATE MOLECULAR ELECTRONIC WAVE-FUNCTIONS

被引：8
作者：
STUEBING, EW [1 ]
WEARE, JH [1 ]
PARR, RG [1 ]
机构：
[1] JOHNS HOPKINS UNIV,DEPT CHEM,BALTIMORE,MD 21204
来源：
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1977年 / 11卷 / 01期
关键词：
D O I：
10.1002/qua.560110108
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：81 / 102
页数：22
相关论文
共 50 条
[41]   Determination of Rotational Temperature from Molecular Wave-functions [J].
Abdurrouf .
8TH ANNUAL BASIC SCIENCE INTERNATIONAL CONFERENCE: COVERAGE OF BASIC SCIENCES TOWARD THE WORLD'S SUSTAINABILITY CHALLANGES, 2018, 2021
[42]   INTERPOLATION OF MOLECULAR WAVE-FUNCTIONS WITH A VARIABLE GEOMETRICAL PARAMETER [J].
MONTAGNANI, R ;
RIANI, P ;
SALVETTI, O .
JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (12) :6425-6426
[43]   ASYMPTOTIC-BEHAVIOR OF ATOMIC AND MOLECULAR WAVE-FUNCTIONS [J].
KATRIEL, J ;
DAVIDSON, ER .
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA-PHYSICAL SCIENCES, 1980, 77 (08) :4403-4406
[44]   CALCULATIONS OF MOLECULAR WAVE-FUNCTIONS IN TERMS OF MODULATED PLANEWAVES [J].
CECCHI, MM ;
SALVETTI, O .
THEORETICA CHIMICA ACTA, 1972, 26 (04) :351-&
[45]   MULTICENTER SPHERICAL GAUSSIAN EXPANSION OF MOLECULAR WAVE-FUNCTIONS [J].
TAL, Y ;
HERZFELD, J .
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1990, 199 :212-PHYS
[46]   ALGEBRAIC APPROXIMATION OF SCATTERING WAVE-FUNCTIONS FOR MOLECULAR SYSTEMS [J].
HANSEL, KD ;
ROSCH, N .
THEORETICA CHIMICA ACTA, 1977, 46 (02) :143-155
[47]   FLOATING TYPE WAVE-FUNCTIONS IN MOLECULAR PSEUDOPOTENTIAL CALCULATIONS [J].
GASPAR, R ;
TAMASSYL.I .
ACTA PHYSICA ACADEMIAE SCIENTIARUM HUNGARICAE, 1973, 33 (3-4) :387-398
[48]   MOLECULAR ELECTROSTATIC POTENTIALS FROM PCILO WAVE-FUNCTIONS [J].
LOCHMANN, R ;
PEINEL, G ;
WELLER, T .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1981, 20 (05) :1197-1105
[49]   BASIC MATHEMATICAL PROPERTIES OF ELECTRONIC WAVE-FUNCTIONS IN CONFIGURATION SPACE [J].
AHLRICHS, R .
NUMERICAL DETERMINATION OF THE ELECTRONIC STRUCTURE OF ATOMS, DIATOMIC AND POLYATOMIC MOLECULES, 1989, 271 :1-15
[50]   DIFFERENTIABILITY OF DEGENERATE ELECTRONIC WAVE-FUNCTIONS WITH RESPECT TO PARAMETRIC VARIABLES [J].
LI, Y ;
GOSCINSKI, O .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1990, 37 (03) :249-256
12345