Self-consistent determination of the one-body density matrix and particle-hole excitations

Citation
F. Catara et al., Self-consistent determination of the one-body density matrix and particle-hole excitations, PHYS REV B, 58(24), 1998, pp. 16070-16075
Citations number
19
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
PHYSICAL REVIEW B-CONDENSED MATTER
ISSN journal
01631829 → ACNP
Volume
58
Issue
24
Year of publication
1998
Pages
16070 - 16075
Database
ISI
SICI code
0163-1829(199812)58:24<16070:SDOTOD>2.0.ZU;2-O
Abstract
We develop a procedure recently proposed for the treatment of correlations in finite Fermi systems in a more consistent way than the random phase appr oximation (RPA). The one-body density matrix in the correlated ground state is now no more assumed to be diagonal in the Hartree-Fock basis. An expres sion is rather provided where this quantity is expressed in terms of the X and Y amplitudes of the particle-hole phonon operators. A set of RPA-like e quations depending only on the one-body density matrix is then constructed by means of the method of linearized equations of motion and solved via an iterative procedure. The procedure is employed to calculate spectra and str ength distributions of several neutral and charged Na and Li metal clusters within the jellium approximation. Improvements are observed with respect t o standard RPA calculations. [S0163-1829(98)06947-1].