✦ LIBER ✦

Momentum and position space densities in many-electron systems

✍ Scribed by N. H. March

Publisher: John Wiley and Sons
Year: 1996
Tongue: English
Weight: 1006 KB
Volume: 60
Category: Article
ISSN: 0020-7608
DOI: 10.1002/(sici)1097-461x(1996)60:1<307::aid-qua31>3.0.co;2-8

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✦ Synopsis

rn Motivated by McWeeny's pioneering work on the solution of the Schrodinger equation in momentum space and his early treatment of X-ray scattering factors from the electron distribution p(r) in both isolated and bonded atoms, the relation between momentum space moments ( p") and p(r) is first developed semiclassically, as in the forerunner of density functional theory, the Thomas-Fermi method. The relation between ( p) and the Dirac-Slater exchange energy prompts the treatment of an exact nonlocal relation between kinetic and exchange energies in Hartree-Fock theory. The Hiller-Sucher-Feinberg identity serves then to introduce the differential form of the virial theorem in a many-electron system. Following very recent work of Holas and March, this is used to obtain the exact exchange-correlation potential as a path integral expressed in terms of low-order density matrices.

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