Theoretical-Chemistry-Group-UCLouvain/std2

std2 program for computing excited states and response functions via simplified TD-DFT methods (sTDA, sTD-DFT, SF-sTD-DFT, XsTDA, XsTD-DFT, and SF-Xs-TD-DFT)

语言：Fortran · GitHub 星标：59 · Fork：17

话题：computational-chemistry · excited-states · nonlinear-response · quantum-chemistry · spin-flip · td-dft

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