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H2 solved by the finite element method

Affiliation:	1. School of Computer Engineering and Science, Shanghai University, Shanghai 200444, China;2. School of Materials Science and Engineering, Shanghai University, Shanghai 200444, China;3. Materials Genome Institute, Shanghai University, Shanghai 200444, China;1. Departamento de Física, Universidad de Guanajuato, Lomas del Campestre 103, Fraccionamiento Lomas del Campestre, León, Guanajuato, 37150, Mexico;2. Facultad de Ciencias Físico-Matemáticas, Universidad Autónoma de Coahuila, Edificio A, Unidad Camporredondo, 25000, Saltillo, Coahuila, Mexico

Abstract:	We report on the solution of the Hartree-Fock equations for the ground state of the H₂ 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 × 11 grid points in two dimensions. A 41 × 16 grid gives a new Hartree-Fock benchmark to ten-figure accuracy.

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