/tools/std2
std2
grimme-lab/std2
51 stars13 forksFortranAdded February 8, 2026
summary
The std2 program computes excited states and response functions using various simplified TD-DFT methods, making it a valuable tool for researchers in quantum chemistry and molecular simulations.
description
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)
topics
excited-statesquantum-chemistrycomputational-chemistrytd-dftspin-flipnonlinear-response
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