Exact exchange in linear-response theory

Authors
Citation
Rk. Nesbet, Exact exchange in linear-response theory, PHYS REV A, 60(5), 1999, pp. R3343-R3346
Citations number
16
Categorie Soggetti
Physics
Journal title
PHYSICAL REVIEW A
ISSN journal
10502947 → ACNP
Volume
60
Issue
5
Year of publication
1999
Pages
R3343 - R3346
Database
ISI
SICI code
1050-2947(199911)60:5<R3343:EEILT>2.0.ZU;2-#
Abstract
An exact formalism for excitation energies of any interacting N-electron sy stem has recently been derived from the linear-response limit of time-depen dent Kohn-Sham theory. A response kernel is determined in this theory by th e functional derivative of the ground-state Kohn-Sham potential function wi th respect to electron density. It is shown here that the exchange part of this response kernel is a linear operator determined exactly by the underly ing second-quantized Hamiltonian:If correlation response is neglected, the theory reduces to the random-phase approximation including exchange. This f ormalism justifies methods that combine this exact exchange kernel with den sity-functional approximations to the correlation kernel. [S1050-2947(99)50 111-X].