Topic: excited-states Goto Github
Some thing interesting about excited-states
Some thing interesting about excited-states
excited-states,Neural network class for molecular dynamics to predict potential energy, forces and non-adiabatic couplings.
Organization: aimat-lab
excited-states,This is the code of the paper "Excitations of quantum many-body systems via purified ensembles", Phys. Rev. Lett. 129, 066401 (2022).
User: cabenav
excited-states,Combining SchNet, PaiNN and SHARC – Bridging the Gap between Machine Learning and Photoinduced Dynamics
User: compphotochem
excited-states,N/D diabatiziation of adiabatic potential energy curves.
User: eljost
excited-states,Python suite for optimization of stationary points on ground- and excited states PES and determination of reaction paths.
User: eljost
excited-states,Wavefunction overlaps between CI-functions in python.
User: eljost
excited-states,Parsing and plotting of excited state calculations from Gaussian/Turbomole/ORCA.
User: eljost
excited-states,stda program for computing excited states and response functions via simplified TD-DFT methods (sTDA, sTD-DFT, and SF-sTD-DFT)
Organization: grimme-lab
excited-states,sTDA-xTB Hamiltonian for ground state
Organization: grimme-lab
excited-states,A code for excited state properties calculations on real-space grids
Organization: parsec-real-space-code
Home Page: https://real-space.org/downloads/
excited-states,
Organization: quantum-dynamics-hub
Home Page: https://quantum-dynamics-hub.github.io/pyxaid2/
excited-states,Chebyshev propagator for RT-TDDFT module in NWChem
User: soumenchem
Home Page: https://sites.google.com/view/soumenchem/softwares/chebyshev-propagator?authuser=0
excited-states,SEMIEMP:Open source code for semiempirical qunatum chemistry calculations
User: soumenchem
Home Page: https://sites.google.com/view/soumenchem/semiemp-code?authuser=0
excited-states,The source of the votca-csg and xtp packages
Organization: votca
excited-states,GW-BSE for excited state Quantum Chemistry in a Gaussian Orbital basis, electronic spectroscopy with QM/MM, charge and energy dynamics in complex molecular systems
Organization: votca
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