Nonadiabatic conical nodes are near but not at an elliptical conical intersection

نویسندگان
چکیده

برای دانلود رایگان متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Real-Time Observation of Nonadiabatic Bifurcation Dynamics at a Conical Intersection.

Looking into temporal dynamics of the reactive flux that is precisely located at the well-characterized conical intersection has been one of chemists' longstanding goals. We report here real-time nonadiabatic bifurcation dynamics in the S-CH3 bond predissociation of thioanisole (C6H5SCH3) in the first electronically excited state (S1). It is found that two distinct adiabatic and nonadiabatic re...

متن کامل

Coherent electron hole dynamics near a conical intersection.

The coherent evolution of an electron hole in a photoionized molecule represents an unexplored facet of charge transfer phenomena occurring in complex systems. Using ultrafast extreme ultraviolet spectroscopy, we investigate the real-time dynamics of an electron hole wave packet created near a conical intersection in CO_{2}. We resolve the oscillation of the electron hole density between σ and ...

متن کامل

Effective spectral densities for system-environment dynamics at conical intersections: S2–S1 conical intersection in pyrazine

A recently developed effective-mode representation is employed to characterize the influence of a multidimensional environment on the S2–S1 conical intersection in pyrazine, taken as a paradigm case of highdimensional dynamics at a conical intersection. We consider a simplified model by which four modes are strongly coupled to the electronic subsystem while a number of weakly coupled tuning mod...

متن کامل

Nonlinear dimensionality reduction for nonadiabatic dynamics: the influence of conical intersection topography on population transfer rates.

Conical intersections play a critical role in the nonadiabatic relaxation of excited electronic states. However, there are an infinite number of these intersections and it is difficult to predict which are actually relevant. Furthermore, traditional descriptors such as intrinsic reaction coordinates and steepest descent paths often fail to adequately characterize excited state reactions due to ...

متن کامل

Semiclassical description of nonadiabatic quantum dynamics: Application to the S1 –S2 conical intersection in pyrazine

A recently proposed semiclassical approach to the description of nonadiabatic quantum dynamics @G. Stock and M. Thoss, Phys. Rev. Lett. 78, 578 ~1997!, X. Sun and W. H. Miller, J. Chem. Phys. 106, 916 ~1997!# is applied to the S1 –S2 conical intersection in pyrazine. This semiclassical method is based on a transformation of discrete quantum variables to continuous variables, thereby bypassing t...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

ژورنال

عنوان ژورنال: Chemical Physics

سال: 2019

ISSN: 0301-0104

DOI: 10.1016/j.chemphys.2019.01.004