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Physical Chemistry

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Theoretical and Computational Chemistry

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Keywords

MCTDH
mode combination
collocation

Authors

3 results in Keywords: MCTDH, mode combination, collocation

Theoretical and Computational Chemistry

Computing vibrational spectra using a new collocation method with a pruned basis and more points than basis functions: avoiding quadrature

Jesse Simmons, Tucker CARRINGTON

Version 3 posted 03 April 2023

212

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Physical Chemistry

A Fragment Diabatization Linear Vibronic Coupling Model for Quantum Dynamics of Multichromophoric Systems: Population of the Charge Transfer State in the Photoexcited Guanine Cytosine Pair

James Green, Martha Yaghoubi Jouybari, Haritha Asha, Fabrizio Santoro, Roberto Improta

Version 1 posted 28 April 2021

350

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Theoretical and Computational Chemistry

Assessing Nonadiabatic Dynamics Methods in Long Timescales

SAIKAT MUKHERJEE, Yorick Lassmann, Rafael S. Mattos, Baptiste Demoulin, Basile F. E. Curchod, Mario Barbatti

Version 1 posted 30 September 2024

235

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