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

Cited by 22 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献

同舟云学术

1.学者识别学者识别

2.学术分析学术分析

3.人才评估人才评估

"同舟云学术"是以全球学者为主线,采集、加工和组织学术论文而形成的新型学术文献查询和分析系统,可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容,当前同舟云学术共收录了国内外主流学术期刊6万余种,收集的期刊论文及会议论文总量共计约1.5亿篇,并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询!咨询电话:010-8811{复制后删除}0370

www.globalauthorid.com

TOP

Copyright © 2019-2024 北京同舟云网络信息技术有限公司
京公网安备11010802033243号  京ICP备18003416号-3