DEFINITION OF EXCHANGE BASED ON CUMULANT EXPANSION - CORRELATION INDUCED NARROWING OF THE EXCHANGE HOLE

被引:17
作者
ZIESCHE, P
机构
[1] MAX PLANCK INST FESTKORPERFORSCH, W-7000 STUTTGART 1, GERMANY
[2] TULANE UNIV, NEW ORLEANS, LA 70118 USA
[3] FORSCHUNGSZENTRUM JULICH, FORSCHUNGSZENTRUM, W-5170 JULICH 1, GERMANY
关键词
D O I
10.1016/0038-1098(92)90108-L
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
Under the assumption, that the cumulant expansion of the reduced density matrices has a fundamental meaning, a corresponding decomposition of the pair distribution function of the homogeneous electron gas is considered: g(r) = 1 - 1/2 [f(r)]2 - h(r) Here the one-particle density matrix n(r, r') = nf(\r-r'\) arises from the correlated momentum distribution function n(k) and h(r) is the irreducible part of g(r). In comparison with [f-degrees(r)]2 arising from the uncorrelated Hartree-Fock momentum distribution function n-degrees(k) the corresponding correlated function [f(r)]2 is slightly narrowed leading to a reduction of the exchange energy-epsilon(x). Normalization condition and virial theorem contain the mutual density dependence of the different parts of the total pair distribution function hole 1 - g(r). The situation is illustrated with the help of a simple model for the correlated momentum distribution function.
引用
收藏
页码:597 / 602
页数:6
相关论文
共 14 条
[1]   GROUND-STATE ENERGY OF HIGH-DENSITY ELECTRON GAS [J].
CARR, WJ ;
MARADUDIN, AA .
PHYSICAL REVIEW A-GENERAL PHYSICS, 1964, 133 (2A) :A371-&
[2]   ELECTRON INTERACTIONS .1. FIELD THEORY OF A DEGENERATE ELECTRON GAS [J].
DUBOIS, DF .
ANNALS OF PHYSICS, 1959, 7 (02) :174-237
[3]   ELECTRON INTERACTIONS .2. PROPERTIES OF A DENSE ELECTRON GAS [J].
DUBOIS, DF .
ANNALS OF PHYSICS, 1959, 8 (01) :24-77
[4]  
FULDE P, 1991, ELECTRON CORRELATION
[5]  
GELLMANN M, 1957, PHYS REV, V106, P364, DOI 10.1103/PhysRev.106.364
[6]   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
[7]  
MACKE W, 1950, Z NATURFORSCH A, V5, P192
[8]  
MACKE W, 1964, ANN PHYS-LEIPZIG, V13, P26
[9]  
ONSAGER L, 1966, ANN PHYS-BERLIN, V18, P71
[10]   RELIABILITY OF COUPLING-CONSTANT INTEGRATION ALGORITHM [J].
OVERHAUSER, AW ;
TSAI, JT .
PHYSICAL REVIEW B, 1976, 13 (02) :607-610