JoshuaSBrown / QC_ToolsLinks
This small repository provides functionality for calculating the charge transfer integrals between two molecules.
☆32Updated 2 years ago
Alternatives and similar repositories for QC_Tools
Users that are interested in QC_Tools are comparing it to the libraries listed below
Sorting:
- std2 program for computing excited states and response functions via simplified TD-DFT methods (sTDA, sTD-DFT, SF-sTD-DFT, XsTDA, XsTD-DF…☆44Updated 7 months ago
- code for single-ended and double-ended molecular GSM☆63Updated 2 months ago
- PySOC: python+fortran, spin-orbit coupling, LR-TD-DFT, TDA, TD-DFTB, Gaussian 09, DFTB+