LOCAL EXCHANGE CORRELATION POTENTIAL FROM THE FORCE-FIELD OF THE FERMI-COULOMB HOLE CHARGE FOR NONSYMMETRICAL SYSTEMS

被引:24
作者
HARBOLA, MK
SLAMET, M
SAHNI, V
机构
[1] CUNY BROOKLYN COLL, DEPT PHYS, BROOKLYN, NY 11210 USA
[2] CUNY GRAD SCH & UNIV CTR, NEW YORK, NY 10036 USA
关键词
DENSITY-FUNCTIONAL THEORY; SURFACES; ATOMS;
D O I
10.1016/0375-9601(91)90409-2
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
It is proposed that for non-symmetrical electronic density systems for which the curl of the electric field due to the Fermi-Coulomb hole charge distribution may not vanish, the local effective many-body potential be obtained as the work done against the irrotational component of this field.
引用
收藏
页码:60 / 64
页数:5
相关论文
共 24 条
[1]  
ASAHAMAR K, 1978, ATOM DATA NUCL DATA, V22, P443
[2]  
Clementi E., 1974, Atomic Data and Nuclear Data Tables, V14, P177, DOI 10.1016/S0092-640X(74)80016-1
[3]   QUANTUM-MECHANICAL ORIGIN OF THE ASYMPTOTIC EFFECTIVE POTENTIAL AT METAL-SURFACES [J].
HARBOLA, MK ;
SAHNI, V .
PHYSICAL REVIEW B, 1989, 39 (14) :10437-10440
[4]   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
[5]  
HARBOLA MK, 1990, PHYS REV LETT, V65, P227
[6]  
HARBOLA MK, 1989, THESIS CITY U NEW YO
[7]   INHOMOGENEOUS ELECTRON-GAS [J].
RAJAGOPAL, AK ;
CALLAWAY, J .
PHYSICAL REVIEW B, 1973, 7 (05) :1912-1919
[8]  
KLEINMAN L, 1990, ADV QUANTUM CHEM
[9]   SELF-CONSISTENT EQUATIONS INCLUDING EXCHANGE AND CORRELATION EFFECTS [J].
KOHN, W ;
SHAM, LJ .
PHYSICAL REVIEW, 1965, 140 (4A) :1133-&
[10]   ACCURATE ORBITAL-INDEPENDENT DENSITY-FUNCTIONAL POTENTIAL INCLUDING SELF-INTERACTION CORRECTION [J].
KRIEGER, JB ;
LI, Y .
PHYSICAL REVIEW A, 1989, 39 (11) :6052-6055