Mixed Quantum/Classical Method for Nonadiabatic Quantum Dynamics in Explicit Solvent Models: The */N* Decay of Thymine in Water as a Test Case

doi 10.1021/acs.jctc.7b01015.s001
Full Text
Abstract

Available in full text

Date

Unknown

Authors

Unknown

Publisher

American Chemical Society (ACS)

Related search

Recent Advances and Perspectives on Nonadiabatic Mixed Quantum–Classical Dynamics

Chemical Reviews
Chemistry
2018English

Efficient Real-Space Configuration-Interaction Method for the Simulation of Multielectron Mixed Quantum and Classical Nonadiabatic Molecular Dynamics in the Condensed Phase

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2003English

Quantum-Classical Correspondence in Localization of Eigenstates for a System Having Mixed-Type Classical Dynamics

Physical Review E
1999English

Quantum Dynamics in Transverse-Field Ising Models From Classical Networks

SciPost Physics
2018English

Moving Solvated Electrons With Light: Nonadiabatic Mixed Quantum/Classical Molecular Dynamics Simulations of the Relocalization of Photoexcited Solvated Electrons in Tetrahydrofuran (THF)

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2006English

Theories and Applications of Mixed Quantum-Classical Non-Adiabatic Dynamics

Chinese Journal of Chemical Physics
Theoretical ChemistryPhysical
2018English

Quantum Mechanics of Proteins in Explicit Water: The Role of Plasmon-Like Solute-Solvent Interactions

Science advances
Multidisciplinary
2019English

Efficient and Deterministic Propagation of Mixed Quantum-Classical Liouville Dynamics

English

Efficient Geometric Integrators for Nonadiabatic Quantum Dynamics. II. The Diabatic Representation

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2019English

Amanote Research

Note-taking for researchers

Follow Amanote

© 2024 Amaplex Software S.P.R.L. All rights reserved.

Privacy PolicyRefund Policy