A simple implementation of the Hartree-Fock algorithm. STO-nG basis sets are used, which are generated from Slater exponents given in the input file. Some parts like the input reader and straightforward functions were taken from marvinfriede's hartree-fock implementation. Currently, the following algorithms are implemented:
- RHF and UHF
- RMP2
- Numerical gradient
- Charge density
- Mulliken population analysis
This program was written in the context of teaching the Quantum Chemistry II course myself.