GRADIENT EXPANSION OF THE CLASSICAL COULOMB ENERGY OF AN ATOMIC CHARGE-DISTRIBUTION

被引:9
作者
BARTOLOTTI, LJ
PARR, RG
机构
关键词
D O I
10.1063/1.442623
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:4553 / 4555
页数:3
相关论文
共 6 条
[1]   AN ATOMIC KINETIC-ENERGY FUNCTIONAL WITH FULL WEIZSACKER CORRECTION [J].
ACHARYA, PK ;
BARTOLOTTI, LJ ;
SEARS, SB ;
PARR, RG .
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA-PHYSICAL SCIENCES, 1980, 77 (12) :6978-6982
[2]  
FISCHER CF, 1978, COMPUT PHYS COMMUN, V14, P145, DOI DOI 10.1016/0010-4655(78)90057-7
[3]   BOUNDS FOR COULOMB ENERGIES [J].
GADRE, SR ;
BARTOLOTTI, LJ ;
HANDY, NC .
JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (02) :1034-1038
[4]   LOCAL ELECTRON-ELECTRON ENERGY DENSITY FUNCTIONALS [J].
GAZQUEZ, JL ;
ROBLES, J .
JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (10) :5927-5928
[5]   COMPARATIVE-STUDY OF THE GRADIENT EXPANSION OF THE ATOMIC KINETIC-ENERGY FUNCTIONAL-NEUTRAL ATOMS [J].
MURPHY, DR ;
WANG, WP .
JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (01) :429-433
[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