PRELIMINARY-RESULTS ON THE PERFORMANCE OF A FAMILY OF DENSITY FUNCTIONAL METHODS

被引:126
作者
JOHNSON, BG
GILL, PMW
POPLE, JA
机构
[1] Department of Chemistry, Carnegie Mellon University, Pittsburgh
关键词
D O I
10.1063/1.463975
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
[No abstract available]
引用
收藏
页码:7846 / 7848
页数:3
相关论文
共 33 条
[11]  
GILL PMW, UNPUB
[12]  
GILL PMW, IN PRESS INT J QUANT
[13]   The wave mechanics of an atom with a non-Coulomb central field Part III Term values and intensities in series an optical spectra [J].
Hartree, DR .
PROCEEDINGS OF THE CAMBRIDGE PHILOSOPHICAL SOCIETY, 1928, 24 :426-437
[14]   INHOMOGENEOUS ELECTRON-GAS [J].
RAJAGOPAL, AK ;
CALLAWAY, J .
PHYSICAL REVIEW B, 1973, 7 (05) :1912-1919
[15]  
JOHNSON BG, UNPUB J CHEM PHYS
[16]   THE DENSITY FUNCTIONAL FORMALISM, ITS APPLICATIONS AND PROSPECTS [J].
JONES, RO ;
GUNNARSSON, O .
REVIEWS OF MODERN PHYSICS, 1989, 61 (03) :689-746
[17]  
JONES RO, 1991, PCHEM REV, V91, P651
[18]   SELF-CONSISTENT EQUATIONS INCLUDING EXCHANGE AND CORRELATION EFFECTS [J].
KOHN, W ;
SHAM, LJ .
PHYSICAL REVIEW, 1965, 140 (4A) :1133-&
[19]   CONTRIBUTION OF TRIPLE SUBSTITUTIONS TO THE ELECTRON CORRELATION-ENERGY IN 4TH ORDER PERTURBATION-THEORY [J].
KRISHNAN, R ;
FRISCH, MJ ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (07) :4244-4245
[20]  
Lebedev V. I., 1976, Zhurnal Vychislitel'noi Matematiki i Matematicheskoi Fiziki, V16, P293