RESULTS OBTAINED WITH THE CORRELATION-ENERGY DENSITY FUNCTIONALS OF BECKE AND LEE, YANG AND PARR

被引：6778
作者：
MIEHLICH, B
SAVIN, A
STOLL, H
PREUSS, H
机构：
来源：
CHEMICAL PHYSICS LETTERS | 1989年 / 157卷 / 03期
关键词：
D O I：
10.1016/0009-2614(89)87234-3
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
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页码：200 / 206
页数：7
相关论文
共 25 条
[1]   ON THE LARGE-GRADIENT BEHAVIOR OF THE DENSITY FUNCTIONAL EXCHANGE ENERGY [J].
BECKE, AD .
JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (12) :7184-7187
[2]   CORRELATION-ENERGY OF AN INHOMOGENEOUS ELECTRON-GAS - A COORDINATE-SPACE MODEL [J].
BECKE, AD .
JOURNAL OF CHEMICAL PHYSICS, 1988, 88 (02) :1053-1062
[3]   A MULTICENTER NUMERICAL-INTEGRATION SCHEME FOR POLYATOMIC-MOLECULES [J].
BECKE, AD .
JOURNAL OF CHEMICAL PHYSICS, 1988, 88 (04) :2547-2553
[4]  
BECKE AD, 1987, DENSITY MATRICES DEN, P443
[5]   APPROXIMATE CALCULATION OF CORRELATION ENERGY FOR CLOSED SHELLS [J].
COLLE, R ;
SALVETTI, O .
THEORETICA CHIMICA ACTA, 1975, 37 (04) :329-334
[6]   EXCHANGE AND CORRELATION IN ATOMS, MOLECULES, AND SOLIDS BY SPIN-DENSITY FUNCTIONAL FORMALISM [J].
GUNNARSSON, O ;
LUNDQVIST, BI .
PHYSICAL REVIEW B, 1976, 13 (10) :4274-4298
[7]   DENSITY DIFFERENCE REPRESENTATION OF ELECTRON CORRELATION [J].
GUPTA, A ;
BOYD, RJ .
JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (04) :1951-1957
[8]  
Herzberg G., 1979, MOL SPECTRA MOL STRU, VIV
[9]   A SPIN DEPENDENT VERSION OF THE LANGRETH-MEHL EXCHANGE-CORRELATION FUNCTIONAL [J].
HU, CD ;
LANGRETH, DC .
PHYSICA SCRIPTA, 1985, 32 (04) :391-396
[10]   SELF-CONSISTENT EQUATIONS INCLUDING EXCHANGE AND CORRELATION EFFECTS [J].
KOHN, W ;
SHAM, LJ .
PHYSICAL REVIEW, 1965, 140 (4A) :1133-&
123