QF2 - A MATLAB Code for Approximate Calculation of Multi-Dimensional Quantum Forces

QF2 is a MATLAB code that approximately computes quantum forces from a given set of Bohmian particles distributed over a multi-dimensional phase space, using a domain decomposition technique.

The MATLAB code is largely based on the algorithm described in the following reference articles:

[1] Sojung Park, Jungim Yoon, and Daehyun Wee, Convergence characteristics of a domain decomposition scheme for approximation of quantum forces, Current Applied Physics 13 (2013) 1296-1300.

[2] Daehyun Wee, Automatic domain decomposition for semiclassical Bohmian mechanics using k-means clustering, Applied Mathematical Modelling 35 (2011) 667-674.

[3] V.A. Rassolov, S. Garashchuk, Bohmian dynamics on subspaces using linearized quantum force, J. Chem. Phys. 120 (2004) 6815–6825.

On-going Development

- Parallelization with MATLAB Parallel Computing Toolbox

Contents

qf2.m: the main function containing subroutines; qfr.m: a driver for qf2.m.

QTM.zip

Documentation

quantum_force_approximation.pdf

Contact e-mail: dhwee at ewha.ac.kr