swMATH ID: 33436
Software Authors: A. W. Hauser
Description: SCFInitialGuess: This project is a neural network based approach to finding more accurate initial guesses to SCF calculations e.g. in hartree-fock. It is based in the quantum chemistriy group of Prof. A. W. Hauser, at the TU Graz.
Homepage: https://github.com/jcartus/SCFInitialGuess
Source Code:  https://github.com/jcartus/SCFInitialGuess
Related Software: adcc; VeloxChem; molsturm; OpenFermion; PyFLOSIC; OpenQEMIST; SciPy; NumPy; CPPE; PyBerny; libdftd3; QSoME; TBLIS; PyMBE; PyQMC; QISKit; Python; PySCF
Cited in: 0 Publications