GROUND-STATE ENERGIES AND HIGHEST OCCUPIED EIGENVALUES OF ATOMS IN EXCHANGE-ONLY DENSITY-FUNCTIONAL THEORY

被引:40
作者
LI, Y [1 ]
HARBOLA, MK [1 ]
KRIEGER, JB [1 ]
SAHNI, V [1 ]
机构
[1] CUNY GRAD SCH & UNIV CTR, NEW YORK, NY 10036 USA
来源
PHYSICAL REVIEW A | 1989年 / 40卷 / 10期
关键词
D O I
10.1103/PhysRevA.40.6084
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
引用
收藏
页码:6084 / 6087
页数:4
相关论文
共 20 条
[1]  
Aashamar K., 1978, Atomic Data and Nuclear Data Tables, V22, P443, DOI 10.1016/0092-640X(78)90019-0
[2]  
FISCHER CF, 1977, HARTREEFOCK METHOD A
[3]   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
[4]   QUANTUM-MECHANICAL ORIGIN OF THE ASYMPTOTIC EFFECTIVE POTENTIAL AT METAL-SURFACES [J].
HARBOLA, MK ;
SAHNI, V .
PHYSICAL REVIEW B, 1989, 39 (14) :10437-10440
[5]   QUANTUM-MECHANICAL INTERPRETATION OF THE EXCHANGE-CORRELATION POTENTIAL OF KOHN-SHAM DENSITY-FUNCTIONAL THEORY [J].
HARBOLA, MK ;
SAHNI, V .
PHYSICAL REVIEW LETTERS, 1989, 62 (05) :489-492
[6]   INHOMOGENEOUS ELECTRON-GAS [J].
RAJAGOPAL, AK ;
CALLAWAY, J .
PHYSICAL REVIEW B, 1973, 7 (05) :1912-1919
[7]   SELF-CONSISTENT EQUATIONS INCLUDING EXCHANGE AND CORRELATION EFFECTS [J].
KOHN, W ;
SHAM, LJ .
PHYSICAL REVIEW, 1965, 140 (4A) :1133-&
[8]  
Koopmans T., 1934, PHYSICA, V1, P104, DOI [DOI 10.1016/S0031-8914(34)90011-2, 10.1016/S0031-8914(34)90011-2]
[9]   EXCHANGE-CORRELATION ENERGY OF A METALLIC SURFACE - WAVE-VECTOR ANALYSIS [J].
LANGRETH, DC ;
PERDEW, JP .
PHYSICAL REVIEW B, 1977, 15 (06) :2884-2901
[10]   HELLMANN-FEYNMAN, VIRIAL, AND SCALING REQUISITES FOR THE EXACT UNIVERSAL DENSITY FUNCTIONALS - SHAPE OF THE CORRELATION POTENTIAL AND DIAMAGNETIC SUSCEPTIBILITY FOR ATOMS [J].
LEVY, M ;
PERDEW, JP .
PHYSICAL REVIEW A, 1985, 32 (04) :2010-2021