SIMPLE CORRELATED WAVE-FUNCTIONS FOR ACCURATE ELECTRON-DENSITIES - AN APPLICATION TO NEON

被引:42
作者
BUNGE, AV
ESQUIVEL, RO
机构
来源
PHYSICAL REVIEW A | 1986年 / 34卷 / 02期
关键词
D O I
10.1103/PhysRevA.34.853
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
引用
收藏
页码:853 / 859
页数:7
相关论文
共 28 条
[1]   DENSITY-FUNCTIONAL EXCHANGE-CORRELATION POTENTIALS AND ORBITAL EIGENVALUES FOR LIGHT-ATOMS [J].
ALMBLADH, CO ;
PEDROZA, AC .
PHYSICAL REVIEW A, 1984, 29 (05) :2322-2330
[2]  
Bagus P. S., UNPUB
[3]   ANALYSIS OF ELECTRON CORRELATION IN 2-ELECTRON SYSTEMS .I. H-,HE, AND LI+ [J].
BANYARD, KE ;
BAKER, CC .
JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (06) :2680-&
[4]  
BECK DR, 1982, INT J QUANTUM CHEM S, V16, P343
[5]   RADIAL MOMENTUM DISTRIBUTIONS IO(P) AND COMPTON PROFILES J(Q) - S-1 BE ATOM GROUND STATE [J].
BENESCH, R ;
SMITH, VH .
PHYSICAL REVIEW A, 1972, 5 (01) :114-&
[6]   CORRELATION AND X-RAY SCATTERING. .1. DENSITY MATRIX FORMULATION [J].
BENESCH, R ;
SMITH, VH .
ACTA CRYSTALLOGRAPHICA SECTION A-CRYSTAL PHYSICS DIFFRACTION THEORETICAL AND GENERAL CRYSTALLOGRAPHY, 1970, A 26 (NOV1) :579-&
[7]   CORRELATION AND X-RAY SCATTERING .2. ATOMIC BERYLLIUM [J].
BENESCH, R ;
SMITH, VH .
ACTA CRYSTALLOGRAPHICA SECTION A-CRYSTAL PHYSICS DIFFRACTION THEORETICAL AND GENERAL CRYSTALLOGRAPHY, 1970, A 26 (NOV1) :586-&
[8]  
Bonham R.A, 1974, ACS MONOGRAPH, V169
[9]   ONE-ELECTRON REDUCED DENSITY MATRICES FOR LI(2P) AND B(2P) [J].
BROWN, RE ;
SMITH, VH .
PHYSICAL REVIEW A, 1971, 3 (06) :1858-&