H_2 solved by the finite element method
| dc.date.accessioned | 2008-10-01T08:48:54Z | |
| dc.date.available | 2008-10-01T08:48:54Z | |
| dc.date.issued | 1987 | |
| dc.format.extent | 154374 bytes | |
| dc.format.mimetype | application/pdf | |
| dc.identifier.issn | 0009-2614 | |
| dc.identifier.uri | urn:nbn:de:hebis:34-2008100124209 | |
| dc.identifier.uri | http://hdl.handle.net/123456789/2008100124209 | |
| dc.language.iso | eng | |
| dc.rights | Urheberrechtlich geschützt | |
| dc.rights.uri | https://rightsstatements.org/page/InC/1.0/ | |
| dc.subject.ddc | 530 | |
| dc.title | H_2 solved by the finite element method | eng |
| dc.type | Aufsatz | |
| dcterms.abstract | We report on the solution of the Hartree-Fock equations for the ground state of the H_2 molecule using the finite element method. Both the Hartree-Fock and the Poisson equations are solved with this method to an accuracy of 10^-8 using only 26 x 11 grid points in two dimensions. A 41 x 16 grid gives a new Hartree-Fock benchmark to ten-figure accuracy. | eng |
| dcterms.accessRights | open access | |
| dcterms.bibliographicCitation | In: Chemical physics letters. - Amsterdam : North-Holland Publ. Co., 137.1987, S. 180-182 | |
| dcterms.creator | Heinemann, Dirk | |
| dcterms.creator | Kolb, Dietmar | |
| dcterms.creator | Fricke, Burkhard |