Skip to content

ErikPillon/Quantum_Dynamics

Folders and files

NameName
Last commit message
Last commit date

Latest commit

 

History

8 Commits
 
 
 
 

Repository files navigation

Quantum_Dynamics

Quantum Dynamics script for the time evolution of the wavepacket in the case of the Tully article

The full quantum evolution of a wavepacket is evaluated in the case of the first type model in the article Tully, J.C. J. Chem. Phys. (1990) 93 1061.

In particular, the Adiabatic case is transformed into the adiabatic case, the UNitary time evolution operator is managed using the Trotter decomposition formula and the Kinetic Energy Operator is handled in the Fourier space.

Requirements

The full code has been written in Python 3.7 by means of the conda notebook. numpy is needed for a correct execution of the code.

About

Quantum Dynamics script for the time evolution of the wavepacket in the case of the Tully article

Resources

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published