Use of Quantum Trajectories in Computational Molecular Bioscience (Short Report)

DOI: 10.4236/cmb.2014.41002   PDF   HTML   XML   3,582 Downloads   6,892 Views   Citations


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.

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Ritchie, B. (2014) Use of Quantum Trajectories in Computational Molecular Bioscience. Computational Molecular Bioscience, 4, 25-27. doi: 10.4236/cmb.2014.41002.

Conflicts of Interest

The authors declare no conflicts of interest.


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[2] Ritchie, B. and Weatherford, C.A. (2013) Quantum-Dynamical Theory of Electron Exchange Correlation. Advances in Physical Chemistry, 2013, 497267.
[3] James, H.M. and Coolidge, A.S. (1933) The Ground State of the Hydrogen Molecule. The Journal of Chemical Physics, 1, 835.

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