Nonadiabatic effects in electronic and nuclear dynamics.
Nonadiabatic effects in electronic and nuclear dynamics.
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DOI：
10.1063/1.4996816
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发表时间：
2017-11
期刊：
影响因子：
--
通讯作者：
Rothlisberger U
中科院分区：
文献类型：
--
作者：
Bircher MP;Liberatore E;Browning NJ;Brickel S;Hofmann C;Patoz A;Unke OT;Zimmermann T;Chergui M;Hamm P;Keller U;Meuwly M;Woerner HJ;Vaníček J;Rothlisberger U
由于其性质，超快现象往往伴随着非绝热效应的发生。从理论的角度来看，非绝热过程的处理使得有必要超越由玻恩-奥本海默近似中的与时间无关的薛定谔方程提供的（准）静态图像，并找到解决完全依赖于时间的电子和核量子问题的方法。在这篇综述中，我们给出了一个概述不同的非绝热过程，体现自己在电子和核动力学范围从非绝热现象发生在隧道电离的原子在强激光场的无辐射松弛通过锥形交叉和非绝热耦合的振动模式，并讨论了计算方法，已开发的描述这种现象。这些方法的范围从核电子量子问题的完全解到半经典方法的层次结构，甚至是纯经典框架。这些模拟工具的力量说明了代表性的应用程序和直接对抗在国家中心的能力分子超快科学和技术的实验测量。
Due to their very nature, ultrafast phenomena are often accompanied by the occurrence of nonadiabatic effects. From a theoretical perspective, the treatment of nonadiabatic processes makes it necessary to go beyond the (quasi) static picture provided by the time-independent Schrödinger equation within the Born-Oppenheimer approximation and to find ways to tackle instead the full time-dependent electronic and nuclear quantum problem. In this review, we give an overview of different nonadiabatic processes that manifest themselves in electronic and nuclear dynamics ranging from the nonadiabatic phenomena taking place during tunnel ionization of atoms in strong laser fields to the radiationless relaxation through conical intersections and the nonadiabatic coupling of vibrational modes and discuss the computational approaches that have been developed to describe such phenomena. These methods range from the full solution of the combined nuclear-electronic quantum problem to a hierarchy of semiclassical approaches and even purely classical frameworks. The power of these simulation tools is illustrated by representative applications and the direct confrontation with experimental measurements performed in the National Centre of Competence for Molecular Ultrafast Science and Technology.
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影响因子：
4.4
作者：
Bonella, S;Coker, DF
通讯作者：
Coker, DF
影响因子：
8.6
作者：
Arissian, L.;Smeenk, C.;Corkum, P. B.
通讯作者：
Corkum, P. B.
影响因子：
3.3
作者：
Barnes, George L.;Squires, Shane M.;Sibert, Edwin L., III
通讯作者：
Sibert, Edwin L., III
影响因子：
8.6
作者：
Camus, Nicolas;Yakaboylu, Enderalp;Moshammer, Robert
通讯作者：
Moshammer, Robert
影响因子：
--
作者：
Born, M.;Fock, V.
通讯作者：
Fock, V.