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.format.extent | 313918 bytes | |
| dc.format.mimetype | application/pdf | |
| dc.identifier.issn | 0009-2614 | |
| dc.identifier.uri | urn:nbn:de:hebis:34-2008100824384 | |
| dc.identifier.uri | http://hdl.handle.net/123456789/2008100824384 | |
| 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 |