Improved algorithm for the direct dynamics variational multi-configurational Gaussian method
Author:
Affiliation:
1. Department of Chemistry, University College London, London WC1H 0AJ, United Kingdom
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
https://aip.scitation.org/doi/pdf/10.1063/5.0043720
Reference58 articles.
1. Conformer-Resolved Quantum Dynamics Study of the Photodissociation of 3-Pyrroline
2. Accurate non-adiabatic quantum dynamics from pseudospectral sampling of time-dependent Gaussian basis sets
3. The molecular dissociation of formaldehyde at medium photoexcitation energies: A quantum chemistry and direct quantum dynamics study
4. Photodissociation Dynamics of Phenol: Multistate Trajectory Simulations including Tunneling
5. Dual Fluorescence in GFP Chromophore Analogues: Chemical Modulation of Charge Transfer and Proton Transfer Bands
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