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Physical Chemistry

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Theoretical and Computational Chemistry

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Exact Factorization

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3 results in Keywords: Exact Factorization

Physical Chemistry

On the connection between the Exact Factorization and the Born-Huang representation of the molecular wavefunction

Peter Schürger, Yorick Lassmann, Federica Agostini, Basile Curchod

Version 4 posted 06 March 2025

232

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Theoretical and Computational Chemistry

Exact Factorization of the Photon-Electron-Nuclear Wavefunction: Formulation and Coupled-Trajectory Dynamics

Eduarda Sangiogo Gil, David Lauvergnat, Federica Agostini

Version 2 posted 21 June 2024

407

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Theoretical and Computational Chemistry

Coupled-Trajectory Surface Hopping with Sign Consistency

Rixin Xie, Zhecun Shi, Linjun Wang

Version 2 posted 10 February 2025

137

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