Journalartikel
Autorenliste: Rinderspacher, BC; Schreiner, PR
Jahr der Veröffentlichung: 2005
Seiten: 214104-1-214104-6
Zeitschrift: The Journal of Chemical Physics
Bandnummer: 123
Heftnummer: 21
ISSN: 0021-9606
DOI Link: https://doi.org/10.1063/1.2133732
Verlag: American Institute of Physics
Abstract:
We generalize antisymmetric geminal products to more than just one generating geminal using an Aufbau Ansatz similar to the Hartree-Fock theory. Investigation of Li-, Be, B+, LiH, BeH+, and He-2 shows a very high recovery of electron-correlation energy using this Aufbau Ansatz. The method is inherently multideterminantal and insensitive to symmetry problems. The computational complexity is en par with configuration interaction of singles and doubles.
Zitierstile
Harvard-Zitierstil: Rinderspacher, B. and Schreiner, P. (2005) An Aufbau Ansatz for geminal functional theory, The Journal of Chemical Physics, 123(21), pp. 214104-1-214104-6. https://doi.org/10.1063/1.2133732
APA-Zitierstil: Rinderspacher, B., & Schreiner, P. (2005). An Aufbau Ansatz for geminal functional theory. The Journal of Chemical Physics. 123(21), 214104-1-214104-6. https://doi.org/10.1063/1.2133732
