GitHub / lukaswittmann / hartree-fock
The Hartree-Fock algorithm, a method for approximating the wave function and energy of a quantum many-body system by assuming that the exact N-body wave function of the system can be adequately described by a single Slater determinant. The goal of this project is to implement the HF algorithm for the H2 molecule.
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PURL: pkg:github/lukaswittmann/hartree-fock
Stars: 1
Forks: 0
Open issues: 0
License: None
Language: Fortran
Size: 216 KB
Dependencies parsed at: Pending
Created at: over 3 years ago
Updated at: over 1 year ago
Pushed at: over 1 year ago
Last synced at: 4 months ago
Topics: hartree-fock, mp2, quantum-chemistry, rhf, scf, uhf