DERIVATION OF A LOCAL FORMULA FOR ELECTRON ELECTRON REPULSION ENERGY

被引:29
作者
PARR, RG
机构
关键词
D O I
10.1021/j100322a010
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:3060 / 3061
页数:2
相关论文
共 6 条
[1]   EXPONENTIAL APPROXIMATION FOR THE DENSITY-MATRIX AND THE WIGNER DISTRIBUTION [J].
BERKOWITZ, M .
CHEMICAL PHYSICS LETTERS, 1986, 129 (05) :486-488
[2]   BOUNDS FOR COULOMB ENERGIES [J].
GADRE, SR ;
BARTOLOTTI, LJ ;
HANDY, NC .
JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (02) :1034-1038
[3]   GAUSSIAN AND OTHER APPROXIMATIONS TO THE 1ST-ORDER DENSITY-MATRIX OF ELECTRONIC SYSTEMS, AND THE DERIVATION OF VARIOUS LOCAL-DENSITY-FUNCTIONAL THEORIES [J].
LEE, CT ;
PARR, RG .
PHYSICAL REVIEW A, 1987, 35 (06) :2377-2383
[4]   A SIMPLE GAUSSIAN APPROXIMATION FOR THE ONE-BODY DENSITY-MATRIX [J].
MEYER, J ;
BARTEL, J ;
BRACK, M ;
QUENTIN, P ;
AICHER, S .
PHYSICS LETTERS B, 1986, 172 (02) :122-128
[5]   DENSITY FUNCTIONAL THEORY [J].
PARR, RG .
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1983, 34 :631-656
[6]   LOCAL DENSITY FUNCTIONAL THEORY OF ATOMS AND MOLECULES [J].
PARR, RG ;
GADRE, SR ;
BARTOLOTTI, LJ .
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1979, 76 (06) :2522-2526