SCFInitialGuess 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