2021-19582/qChem2024W-Adiabatic_State_Preparation
Folders and files
| Name | Name | Last commit date | ||
|---|---|---|---|---|
Repository files navigation
1_FCIDUMP: generating CAS(14e,12o) Hamiltonian of Fe2S2 model
1_FCIDUMP_final: generating FCIDUMP for final Hamiltonian
python fcidump_final.py
2_FCIDUMP_initial_meanfield: generating FCIDUMP for mean-field initial Hamiltonian
python fcidump_initial_MF.py
3_FCIDUMP_initial_Dyall: generating FCIDUMP for interacting initial Hamiltonian
python fcidump_initial_Dyall.py ${the number of interacting orbitals}
2_T_ASPest: computing ASP-time estimates (T^est_ASP)
for interpol in {0..10000..50}
do
python fci_T_ASPest.py ${interpol}
done
python plot.py
3_T_ASP: performing the time-dependent ASP simulation for ASP-time (T_ASP)
python asp_fci.py