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Citation Instructions

If the user publishes any work resulting from use of this program, include a citation of the original paper. This applies to both print (journal) and web publications.

Here is the BibTex reference:

@article{doi:10.1142/S0219633618500463,
author = {Curtin, Evan and Bazargan, Gloria and Sohlberg, Karl},
title = {Quantifying electron transit in donor-bridge-acceptor systems using probabilistic confidence},
journal = {Journal of Theoretical and Computational Chemistry},
volume = {17},
number = {07},
pages = {1850046},
year = {2018},
doi = {10.1142/S0219633618500463},

URL = { 
        https://doi.org/10.1142/S0219633618500463

},
eprint = { 
        https://doi.org/10.1142/S0219633618500463

}
,
    abstract = { A probabilistic approach to characterizing transit times for quantum particles is generalized to a system of more than two spatial regions and applied to the transport of charge in donor-bridge-acceptor systems. The approach is based on applying conditional probability analysis to a discrete representation of the time-dependent probability density as generated by numerical solution of the time-dependent Schrödinger equation for an initially localized electron. To carry out this analysis, it is first necessary to cast the conditional probability analysis approach in matrix form. The results afford a quantification of the electron transit time and may provide a tool to gain insight into the mechanism of charge transport. }
}