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gaussian-orbitals

Here are 3 public repositories matching this topic...

dzik143 / hfr-cpp

[ARCHIVE/2009] Hartree-Fock-Roothan (C++)

cplusplus quantum-chemistry gto hartree-fock lcao gaussian-orbitals contracted-gto molecular-integrals

Updated Oct 26, 2020
C++

giselamarti / Electronic_Structure

Subject of Electronic structure for my master's degree

python quantum-mechanics computational-physics self-consistency hydrogen-atom gaussian-orbitals ground-state-energy

Updated Apr 29, 2023
Python

dzik143 / hfr-f77

[ARCHIVE/2008] Hartree-Fock-Roothan method (F77)

public-domain quantum-chemistry quantum-chemistry-programs gto hartree-fock fortran77 lcao gaussian-orbitals molecular-integrals

Updated Oct 26, 2020
Fortran

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