Aufsatz
H_2 solved by the finite element method
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.
Citation
@article{urn:nbn:de:hebis:34-2008100124209,
author={Heinemann, Dirk and Kolb, Dietmar and Fricke, Burkhard},
title={H_2 solved by the finite element method},
year={1987}
}
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<resource xsi:schemaLocation="http://datacite.org/schema/kernel-2.2 http://schema.datacite.org/meta/kernel-2.2/metadata.xsd"> 2008-10-01T08:48:54Z 2008-10-01T08:48:54Z 1987 0009-2614 urn:nbn:de:hebis:34-2008100124209 http://hdl.handle.net/123456789/2008100124209 154374 bytes application/pdf eng Urheberrechtlich geschützt https://rightsstatements.org/page/InC/1.0/ 530 H_2 solved by the finite element method Aufsatz 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. open access In: Chemical physics letters. - Amsterdam : North-Holland Publ. Co., 137.1987, S. 180-182 Heinemann, Dirk Kolb, Dietmar Fricke, Burkhard </resource>
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