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Please use this identifier to cite or link to this item: http://nbn-resolving.de/urn:nbn:de:hebis:34-2008100124209

Titel: H_2 solved by the finite element method
Autor(en): Heinemann, DirkKolb, DietmarFricke, Burkhard
Klassifikation (DDC): 530 - Physik (Physics)
Issue Date: 1987
Zitierform: In: Chemical physics letters. - Amsterdam : North-Holland Publ. Co., 137.1987, S. 180-182
Zusammenfassung: 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.
URI: urn:nbn:de:hebis:34-2008100124209
ISSN: 0009-2614
Appears in Collections:Publikationen

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