Solving the Trivial Crossing Problem While Preserving the Nodal Symmetry of the Wavefunction

Adam Willard; Elizabeth Lee

doi:10.26434/chemrxiv.7895582.v1

Theoretical and Computational Chemistry

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Solving the Trivial Crossing Problem While Preserving the Nodal Symmetry of the Wavefunction

27 March 2019, Version 1

Working Paper

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This content is a preprint and has not undergone peer review at the time of posting.

Abstract

This article presents the development of a new method for solving the so-called trivial crossing problem in simulations of adiabatic dynamics and an application of this method to a model of exciton dynamics on long chain conjugated polymer systems.

Keywords

Mixed Quantum-Classical Dynamics

exciton dynamics

diabatic crossing

Supplementary materials

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Mar 27, 2019 Version 1

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The content is available under CC BY NC ND 4.0

DOI

10.26434/chemrxiv.7895582.v1

Author’s competing interest statement

None

Solving the Trivial Crossing Problem While Preserving the Nodal Symmetry of the Wavefunction

Authors

Abstract

Keywords

Supplementary materials

Comments

Version History

Metrics

License

DOI

Author’s competing interest statement

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