DSpace
KOBRA
KOBRA

KOBRA - Dokumentenserver der Universität Kassel  → Fachbereiche  → FB 10 / Mathematik und Naturwissenschaften  → Institut für Physik  → Theoretische Physik/Theoretische Atom- und Molekülphysik  → Publikationen 

Please use this identifier to cite or link to this item: http://nbn-resolving.de/urn:nbn:de:hebis:34-2008100824384

Titel: Calculations of the polycentric linear molecule H^2+_3 with the finite element method
Autor(en): Hackel, SiegfriedHeinemann, DirkKolb, DietmarFricke, Burkhard
Klassifikation (DDC): 530 - Physik (Physics)
Issue Date: 1993
Zitierform: In: Chemical physics letters. - Amsterdam : North-Holland Publ. Co., 206.1993, S. 91-95
Zusammenfassung: A fully numerical two-dimensional solution of the Schrödinger equation is presented for the linear polyatomic molecule H^2+_3 using the finite element method (FEM). The Coulomb singularities at the nuclei are rectified by using both a condensed element distribution around the singularities and special elements. The accuracy of the results for the 1\sigma and 2\sigma orbitals is of the order of 10^-7 au.
URI: urn:nbn:de:hebis:34-2008100824384
ISSN: 0009-2614
Appears in Collections:Publikationen

Files in This Item:

File Description SizeFormat
Fricke_calculations_1993.pdf306,56 kBAdobe PDFView/Open

Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.