Quantum and semiclassical dynamical studies of nonadiabatic processes in solution: achievements and perspectives

Author:

Santoro Fabrizio1234ORCID,Green James A.1564ORCID,Martinez-Fernandez Lara7891011ORCID,Cerezo Javier7891011ORCID,Improta Roberto1564ORCID

Affiliation:

1. CNR-Consiglio Nazionale delle Ricerche

2. Istituto di Chimica dei Composti Organo Metallici (ICCOM-CNR)

3. I-56124 Pisa

4. Italy

5. Istituto di Biostrutture e Bioimmagini (IBB-CNR)

6. I-80136 Napoli

7. Departamento de Química

8. Facultad de Ciencias and Institute for Advanced Research in Chemistry (IADCHEM)

9. Universidad Autónoma de Madrid

10. Campus de Excelencia UAM-CSIC

11. 28049 Madrid

Abstract

We concisely review the most used methodological approaches to model nonadiabatic dynamics in isotropic solutions and their applications.

Funder

Horizon 2020 Framework Programme

Ministerio de Ciencia e Innovación

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference249 articles.

1. Recent Advances and Perspectives on Nonadiabatic Mixed Quantum–Classical Dynamics

2. Ab Initio Nonadiabatic Quantum Molecular Dynamics

3. Multidimensional Quantum Dynamics: MCTDH Theory and Applications , ed. F. Meyer , H.-D. Gatti and G. A. Worth , Wiley-VCH , Weinheim , 2009

4. BEYOND BORN-OPPENHEIMER: Molecular Dynamics Through a Conical Intersection

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