EXCHANGE AND CORRELATION ENERGIES IN DENSITY-FUNCTIONAL THEORY - BOUNDS FROM AVAILABLE DATA

被引:42
作者
SAHNI, V
LEVY, M
机构
[1] TULANE UNIV,DEPT CHEM,NEW ORLEANS,LA 70118
[2] TULANE UNIV,QUANTUM THEORY GRP,NEW ORLEANS,LA 70118
来源
PHYSICAL REVIEW B | 1986年 / 33卷 / 06期
关键词
D O I
10.1103/PhysRevB.33.3869
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
引用
收藏
页码:3869 / 3872
页数:4
相关论文
共 29 条
[1]   PROPERTIES OF SINGLE-TERM ATOMIC STATES CALCULATED IN A VARIATIONALLY OPTIMIZED-LOCAL-CENTRAL-POTENTIAL MODEL [J].
AASHAMAR, K ;
LUKE, TM ;
TALMAN, JD .
PHYSICAL REVIEW A, 1979, 19 (01) :6-16
[2]   DENSITY-FUNCTIONAL EXCHANGE-CORRELATION POTENTIALS AND ORBITAL EIGENVALUES FOR LIGHT-ATOMS [J].
ALMBLADH, CO ;
PEDROZA, AC .
PHYSICAL REVIEW A, 1984, 29 (05) :2322-2330
[3]   ACCURATE DETERMINATION OF TOTAL ELECTRONIC-ENERGY OF BERYLLIUM GROUND-STATE [J].
BUNGE, CF .
PHYSICAL REVIEW A, 1976, 14 (06) :1965-1978
[4]  
da Providencia J, 1985, DENSITY FUNCTIONAL M
[5]  
FISCHER CF, 1977, HARTREEFOCK METHOD A
[6]   RIGOROUS FORMULATION OF THE KOHN AND SHAM THEORY [J].
HADJISAVVAS, N ;
THEOPHILOU, A .
PHYSICAL REVIEW A, 1984, 30 (05) :2183-2186
[7]   SURFACE-ENERGY OF A BOUNDED ELECTRON-GAS [J].
HARRIS, J ;
JONES, RO .
JOURNAL OF PHYSICS F-METAL PHYSICS, 1974, 4 (08) :1170-1186
[8]   INHOMOGENEOUS ELECTRON-GAS [J].
RAJAGOPAL, AK ;
CALLAWAY, J .
PHYSICAL REVIEW B, 1973, 7 (05) :1912-1919
[9]   SELF-CONSISTENT EQUATIONS INCLUDING EXCHANGE AND CORRELATION EFFECTS [J].
KOHN, W ;
SHAM, LJ .
PHYSICAL REVIEW, 1965, 140 (4A) :1133-&
[10]   BEYOND THE LOCAL-DENSITY APPROXIMATION IN CALCULATIONS OF GROUND-STATE ELECTRONIC-PROPERTIES [J].
LANGRETH, DC ;
MEHL, MJ .
PHYSICAL REVIEW B, 1983, 28 (04) :1809-1834