Authors: Ming-Hsiu Hsieh, Alex Krotz, Roel Tempelaar
J. Phys. Chem. Lett. 2023, 14, 5, 1253–1258
Arxiv: https://arxiv.org/abs/2211.15949
Publication: https://pubs.acs.org/doi/full/10.1021/acs.jpclett.2c03724
The code has been run under Python 3.8.
Required packages: Numpy, Numba, Ray, time, matplotlib
To run a simulation with MF or DC-MF:
python3 main.py input.txt
In line 29 of main.py, one can run the MF dynamics by calling runCalc
in mixQC_MF
and DC-MF dynamics by calling runCalc
in mixQC_DCMF
.
To get the results and plots for MF dynamics:
python3 analyze_MF.py
To get the results and plots for DC-MF dynamics:
python3 analyze_DCMF.py
Alternatively, to run a simulation with CISD (note that this also reads input.txt):
python3 exact_CISD_Natom_RK4.py
To calculate the field intensity within CISD:
python3 calc_ele_int_elewise.py
- input.txt: input file where one sets all parameters
- main.py: the main executive file
- mixQC_MF.py: functions for MF dynamics
- mixQC_DCMF.py: functions for DC-MF dynamics
- analyze_DCMF.py: analyze the DC-MF results and get figures
- analyze_MF.py: analyze the MF results and get figures
- exact/exact_CISD_Natom_RK4.py: executive file for the CISD result
- exact/calc_ele_int_elewise.py: calculating the electric field intensity and photon number from CISD.