Skip to content

2021-19582/qChem2024W-Adiabatic_State_Preparation

 
 

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 


About

No description, website, or topics provided.

Resources

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published

Languages

  • Python 98.4%
  • Shell 1.6%