TITLE:
Use of Quantum Trajectories in Computational Molecular Bioscience
AUTHORS:
Burke Ritchie
KEYWORDS:
Quantum Trajectory; Exchange-Correlation; Pauli Exclusion Principle
JOURNAL NAME:
Computational Molecular Bioscience,
Vol.4 No.1,
March
14,
2014
ABSTRACT:
A spin-dependent quantum trajectory methodology is outlined which achieves electron exchangecorrelation on an ab initio basis. The methodology is intended to give workers in electronic structure the same computational capability which has been available for decades in classical dynamics.