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Search results for excited states
excited-states
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6 search results found
Pysisyphus
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73
Python suite for optimization of stationary points on ground- and excited states PES and determination of reaction paths.
Votca
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40
The source of the votca-csg and xtp packages
Stda
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24
stda program for computing excited states and response functions via simplified TD-DFT methods (sTDA, sTD-DFT, and SF-sTD-DFT)
Xtb4stda
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9
sTDA-xTB Hamiltonian for ground state
Nnsformd
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7
Neural network class for molecular dynamics to predict potential energy, forces and non-adiabatic couplings.
Pyxaid2
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6
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1-6 of 6 search results
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