Critical Examination of Explicitly Time-Dependent Density Functional Theory for Coherent Control of Dipole Switching.

Abstract

We compare the performance of explicitly time-dependent density functional theory (DFT) with time-dependent configuration interaction (TDCI) to achieve the control task of a population inversion in LiCN. We assume that if a given pulse achieves the control task when used in TDCI, then there should be a pulse with similar frequency and intensity that… (More)
DOI: 10.1021/ct200270t

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Cite this paper

@article{Raghunathan2011CriticalEO, title={Critical Examination of Explicitly Time-Dependent Density Functional Theory for Coherent Control of Dipole Switching.}, author={Shampa Raghunathan and Mathias Nest}, journal={Journal of chemical theory and computation}, year={2011}, volume={7 8}, pages={2492-7} }