Calculations of the polycentric linear molecule H^2+_3 with the finite element method

dc.date.accessioned	2008-10-08T10:35:54Z
dc.date.available	2008-10-08T10:35:54Z
dc.date.issued	1993
dc.identifier.issn	0009-2614
dc.identifier.uri	urn:nbn:de:hebis:34-2008100824384
dc.identifier.uri	http://hdl.handle.net/123456789/2008100824384
dc.format.extent	313918 bytes
dc.format.mimetype	application/pdf
dc.language.iso	eng
dc.rights	Urheberrechtlich geschützt
dc.rights.uri	https://rightsstatements.org/page/InC/1.0/
dc.subject.ddc	530
dc.title	Calculations of the polycentric linear molecule H^2+_3 with the finite element method	eng
dc.type	Aufsatz
dcterms.abstract	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.	eng
dcterms.accessRights	open access
dcterms.bibliographicCitation	In: Chemical physics letters. - Amsterdam : North-Holland Publ. Co., 206.1993, S. 91-95
dcterms.creator	Hackel, Siegfried
dcterms.creator	Heinemann, Dirk
dcterms.creator	Kolb, Dietmar
dcterms.creator	Fricke, Burkhard