Találati lista | Tudóstér

001-es BibID:	BIBFORM018034
035-os BibID:	(cikkazonosító)035001
Első szerző:	Nagy Ágnes (fizikus)
Cím:	Density scaling for multiplets / Á. Nagy
Dátum:	2011
ISSN:	0953-4075 1361-6455
Megjegyzések:	Generalized Kohn-Sham equations are presented for lowest-lying multiplets. The way of treating non-integer particle numbers is coupled with an earlier method of the author. The fundamental quantity of the theory is the subspace density. The Kohn-Sham equations are similar to the conventional Kohn-Sham equations. The difference is that the subspace density is used instead of the density and the Kohn-Sham potential is different for different subspaces. The exchange-correlation functional is studied using density scaling. It is shown that there exists a value of the scaling factor ? for which the correlation energy disappears. Generalized OPM and Krieger-Li-Iafrate (KLI) methods incorporating correlation are presented. The ?KLI method, being as simple as the original KLI method, is proposed for multiplets.
Tárgyszavak:	Természettudományok Fizikai tudományok idegen nyelvű folyóiratközlemény külföldi lapban
Megjelenés:	Journal of Physics B. - 44 : 3 (2011), p. 1-6. -
Internet cím:	Intézményi repozitóriumban (DEA) tárolt változat DOI
Borító:
Saját polcon: