ALTERNATIVE EXPRESSIONS FOR THE FERMI HOLE CURVATURE

Authors
Citation
Jf. Dobson, ALTERNATIVE EXPRESSIONS FOR THE FERMI HOLE CURVATURE, The Journal of chemical physics, 98(11), 1993, pp. 8870-8872
Citations number
13
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
ISSN journal
00219606
Volume
98
Issue
11
Year of publication
1993
Pages
8870 - 8872
Database
ISI
SICI code
0021-9606(1993)98:11<8870:AEFTFH>2.0.ZU;2-V
Abstract
The Fermi hole curvature C(r,s) is defined as the Laplacian of the par allel-spin pair distribution, evaluated at zero separation r'=r for a pair of Fermions in a many-Fermion system. It has been used by a numbe r of authors to discuss electron localization, properties of the excha nge and correlation hole, and exchange and correlation energies of inh omogeneous electron gases. Here, the discussion of this quantity is ex tended in two directions. First, for the special case of a single-dete rminant many-electron state, it is shown that a previously derived mac roscopic expression for C can be generalized in a simple fashion to ap ply to current-carrying states. Second, it is shown that a recently gi ven interpretation of C(rs), in terms of relative kinetic energy of pa irs, is valid for a general many-Fermion state and is not limited to t he single-determinant case investigated previously.