Welcome to PyTDSCF’s documentation!
The results of Example 10.
Contents:
- References
- Installation
- How to run
- Quick Start Examples
- Example 1: Relaxation of H2O vibrational state under polynomial PES
- Example 2: Operation of dipole moment operator to H2O vibrational ground state
- Example 3: Propagation of H2O vibration under polynomial PES
- Example 4: Plot IR spectrum of H2O molecule
- Example 5: Multi-state FBR-SOP tutorial (LVC model)
- Example 6: Henon-Heiles Hamiltonian (Anharmonic oscillator) by HO-DVR
- Example 7: Henon-Heiles Hamiltonian (Anharmonic oscillator) by Sine-DVR
- Example 8 Parallel Electronic Structure Calculation in DVR Mesh PES
- Example 9 Grid-MPO dynamics(relaxation) in H2CO molecute
- Example 10 Time-dependent reduced density
- Example 11 Time-dependent reduced density
- Example 12 Singlet fission with bath modes
- Example 13 Donor-acceptor relaxation with linear vibronic coupling
- Example 14 Electron and nuclear spin mixed state dynamics with RadicalPy
- Example 15: Real space parallelization
- pytdscf package
- Subpackages
- Submodules
- pytdscf.ase_handler module
- pytdscf.dvr_operator_cls module
- pytdscf.hamiltonian_cls module
- pytdscf.kraus module
- pytdscf.model_cls module
- pytdscf.properties module
- pytdscf.simulator_cls module
- pytdscf.spectra module
- pytdscf.units module
- pytdscf.wavefunction module
- Module contents