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version (5.05 KB) by Marcin Konowalczyk
Example of a quantum mechanical spin system evolution using the Liouville von Neumann equation (density matrix propagation)

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Updated 08 Nov 2019

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This script performs a representative Liouville von Neumann simulation by propagation of the density matrix. The quantum mechanical system used for simulation consists of three spins: electrons (A,B) and a nucleus (C). Only one of the electrons is coupled to the nucleus (A-C) with a hyperfine coupling specified by `hfc`. The system is also subject to an external magnetic fields specified by `B0`. The calculation runs for the time points specified by `T`.
The code is intended to be used to learn about the basics of spin chemistry, not as a tool for simulation. It is heavily commented, and to use it you should go though it line-by-line to understand what it does.

Cite As

Marcin Konowalczyk (2021). Liouville-von-Neumann-Matlab (, GitHub. Retrieved .

Comments and Ratings (1)

Mithilesh Parit

MATLAB Release Compatibility
Created with R2015b
Compatible with any release
Platform Compatibility
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