Publisher’s Note: “Branching and phase corrected surface hopping: A benchmark of nonadiabatic dynamics in multilevel systems” [J. Chem. Phys. 154, 234109 (2021)]

2021 ◽  
Vol 155 (10) ◽  
pp. 109901
Author(s):  
Cancan Shao ◽  
Jiabo Xu ◽  
Linjun Wang
Keyword(s):  
Chem Phys ◽  
Nonadiabatic Dynamics ◽  
Surface Hopping ◽  
Multilevel Systems

scholarly journals Nonadiabatic dynamics with quantum nuclei: simulating charge transfer with ring polymer surface hopping

2020 ◽  
Vol 221 ◽  
pp. 501-525 ◽  
Author(s):  
Soumya Ghosh ◽  
Samuele Giannini ◽  
Kevin Lively ◽  
Jochen Blumberger
Keyword(s):  
Charge Transfer ◽  
Polymer Surface ◽  
Nonadiabatic Dynamics ◽  
Surface Hopping ◽  
Different Temperatures ◽  
Ring Polymer ◽  
Adiabatic Dynamics

Exploring effects of quantizing nuclei in non-adiabatic dynamics for simulating charge transfer in a dimer of “ethylene-like-molecules” at different temperatures.

scholarly journals Nonadiabatic dynamics in multidimensional complex potential energy surfaces

2020 ◽  
Vol 11 (36) ◽  
pp. 9827-9835 ◽  
Author(s):  
Fábris Kossoski ◽  
Mario Barbatti
Keyword(s):  
Wave Function ◽  
Potential Energy ◽  
Complex Potential ◽  
Potential Energy Surfaces ◽  
Nonadiabatic Dynamics ◽  
Continuous Development ◽  
Surface Hopping ◽  
Multidimensional Complex ◽  
Function Norm ◽  
Energy Surfaces

Despite the continuous development of methods for describing nonadiabatic dynamics, there is a lack of multidimensional approaches for processes where the wave function norm is not conserved. A new surface hopping variant closes this knowledge gap.

scholarly journals Phase Coherence in Multiple Pulse Optical Spectroscopy

1983 ◽  
Vol 2 (2) ◽  
pp. 37-51 ◽  
Author(s):  
Warren S. Warren ◽  
Ahmed H. Zewail
Keyword(s):  
Optical Spectroscopy ◽  
Chem Phys ◽  
Detection Methods ◽  
Optical Transitions ◽  
Multiple Pulse ◽  
Pulse Trains ◽  
Multilevel Systems ◽  
Relaxation Parameters ◽  
Vibrational Levels ◽  
A New Technique

In this paper we describe a new technique for the generation of multiple pulse phase coherent sequences in optical spectroscopy. The technique is an extension of the acousto-optic modulation and fluorescence detection methods developed for optical transitions by Zewail and Orlowski (Zewail et al., Chem. Phys. Lett.48, 256 (1977); Orlowski et al., Chem. Phys. Lett.54, 197 (1978)). Application of these multiple pulse trains (of different phases) to optical transitions of two-level and multilevel systems is demonstrated experimentally. It is shown that they can be used to (i) suppress spontaneous emission background, (ii) enhance coherent transients such as photon echoes, (iii) measure additional relaxation parameters in systems with complex rotational-vibrational levels, and (iv) enhance the effective laser bandwidths through composite pulse trains, as demonstrated on I2 gas. Finally, the potential of this development is extended to the possibility of observing selective multiquantum excitation in molecules.

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