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H_2 solved by the finite element method

Heinemann, Dirk
Kolb, Dietmar
Fricke, Burkhard

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.

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@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},
  copyright  ={https://rightsstatements.org/page/InC/1.0/},
  language ={en},
  year   ={1987}
}