PSEUDO-ATOM EXPANSIONS OF THE 1ST-ROW DIATOMIC HYDRIDE ELECTRON-DENSITIES

被引:17
作者
CHANDLER, GS
SPACKMAN, MA
机构
来源
ACTA CRYSTALLOGRAPHICA SECTION A | 1982年 / 38卷 / MAR期
关键词
D O I
10.1107/S0567739482000515
中图分类号
O6 [化学];
学科分类号
0703 ;
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页码:225 / 239
页数:15
相关论文
共 24 条
[1]   MOLECULAR CHARGE DISTRIBUTIONS AND CHEMICAL BINDING .2. FIRST-ROW DIATOMIC HYDRIDES AH [J].
BADER, RFW ;
KEAVENY, I ;
CADE, PE .
JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (09) :3381-&
[2]   DIATOMIC GENERALIZED X-RAY-SCATTERING FACTORS - RESULTS FROM HARTREE-FOCK ELECTRON-DENSITY FUNCTIONS [J].
BENTLEY, J ;
STEWART, RF .
JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (09) :3794-3803
[3]   DETERMINATION OF ELECTRONIC ENERGIES FROM EXPERIMENTAL ELECTRON-DENSITIES [J].
BENTLEY, J .
JOURNAL OF CHEMICAL PHYSICS, 1979, 70 (01) :159-164
[4]   CORE DEFORMATION STUDIES BY COHERENT X-RAY-SCATTERING [J].
BENTLEY, J ;
STEWART, RF .
ACTA CRYSTALLOGRAPHICA SECTION A, 1974, A 30 (JAN1) :60-67
[5]   PSEUDO-ATOMS IN DIATOMIC-MOLECULES - RESTRICTED RADIAL FUNCTIONS [J].
BENTLEY, JJ ;
STEWART, RF .
ACTA CRYSTALLOGRAPHICA SECTION A, 1976, 32 (SEP1) :910-914
[6]  
BENTLEY JJ, 1974, THESIS CARNEGIE MELL
[7]   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-&
[8]   PSEUDO-ATOM EXPANSIONS OF THE H-2 ELECTRON-DENSITY [J].
CHANDLER, GS ;
SPACKMAN, MA ;
VARGHESE, JN .
ACTA CRYSTALLOGRAPHICA SECTION A, 1980, 36 (JUL) :657-669
[9]  
Clementi E., 1974, Atomic Data and Nuclear Data Tables, V14, P177, DOI 10.1016/S0092-640X(74)80016-1
[10]   AB INITIO COMPUTATIONS IN ATOMS AND MOLECULES [J].
CLEMENTI, E .
IBM JOURNAL OF RESEARCH AND DEVELOPMENT, 1965, 9 (01) :2-&