Publications related to Vibronic coupling

Communications: Evaluation of the nondiabaticity of quantum molecular dynamics with the dephasing representation of quantum fidelity

Jiri Vanicek, Tomas Zimmermann

We propose an approximate method for evaluating the importance of non-Born–Oppenheimer effects on the quantum dynamics of nuclei. The method uses a generalization of the dephasing representation (DR) of quantum fidelity to several diabatic potential energy ...

American Institute of Physics2010

Selective adsorption and electronic interaction of F16CuPc on epitaxial graphene

Efthimios Kaxiras, Sheng Meng, Xi Chen, Jun Ren

We investigate the electronic coupling between copper hexadecafluoro-phthalocyanine (F16CuPc) and epitaxial graphene (EG) on 6H-SiC (0001) using a combined approach of low-temperature scanning tunneling spectroscopy and electronic structure calculations. T ...

2010

Coherent ultrafast torsional motion and isomerization of a biomimetic dipolar photoswitch

Majed Chergui, Andrea Cannizzo, Olivier Christian Bräm, Stefan Haacke

Femtosecond fluorescence up-conversion, UV-Vis and IR transient absorption spectroscopy are used to study the photo-isomerization dynamics of a new type of zwitterionic photoswitch based on a N-alkylated indanylidene pyrroline Schiff base framework (ZW-NAI ...

Royal Society of Chemistry2010

Absorption spectroscopy of adenine, 9-methyladenine, and 2-aminopurine in helium nanodroplets

Marcel Drabbels

High-resolution absorption spectra of adenine, 9-methyladenine and 2-aminopurine in helium nanodroplets have been recorded. In contrast to molecular beam experiments, large variations in linewidths are observed for adenine and 9-methyladenine. At the same ...

Royal Society of Chemistry2010

Non-adiabatic coupling vectors within linear response time-dependent density functional theory

Ursula Röthlisberger, Ivano Tavernelli, Enrico Marko Tapavicza

A method is developed to compute the nonadiabatic coupling vectors (NACVs) between electronic ground and excited states as well as between any possible pair of excited states within the framework of linear response time-dependent density functional theory ...

2009

Non-adiabatic Dynamics Using Time-Dependent Density Functional Theory: assessing the Coupling Strengths

Ursula Röthlisberger, Ivano Tavernelli, Enrico Marko Tapavicza

Light-driven reactions constitute an important class of processes in physics, chemistry, and biology. The development of accurate and efficient computational tools for the study of excited states dynamics has thus become of primary importance. Recently, we ...

2009

Role of nonadiabatic untrapped electrons in global electrostatic ion temperature gradient driven modes in a tokamak

Laurent Villard, Stephan Brunner, Paolo Angelino

In this work, role of nonadiabatic untrapped electrons in the context of a global ion temperature gradient driven mode has been investigated. In past studies, untrapped electrons have been assumed to be able to respond "instantaneously" to a disturbance. I ...

American Institute of Physics2008

Superadiabaticity in magnetic resonance

David Lyndon Emsley, Philip John Grandinetti

Adiabaticity plays a central role in modern magnetic resonance experiments, as excitations with adiabatic Hamiltonians allow precise control of the dynamics of the spin states during the course of an experiment. Surprisingly, many commonly used adiabatic p ...

AMER INST PHYSICS2008

Chat with Graph Search

Ask any question about EPFL courses, lectures, exercises, research, news, etc. or try the example questions below.

DISCLAIMER: The Graph Chatbot is not programmed to provide explicit or categorical answers to your questions. Rather, it transforms your questions into API requests that are distributed across the various IT services officially administered by EPFL. Its purpose is solely to collect and recommend relevant references to content that you can explore to help you answer your questions.

Vibronic coupling

Communications: Evaluation of the nondiabaticity of quantum molecular dynamics with the dephasing representation of quantum fidelity

Ultrafast X-ray and Optical Spectroscopy of Binuclear Molecular Complexes

Selective adsorption and electronic interaction of F16CuPc on epitaxial graphene

Coherent ultrafast torsional motion and isomerization of a biomimetic dipolar photoswitch

Absorption spectroscopy of adenine, 9-methyladenine, and 2-aminopurine in helium nanodroplets

Non-adiabatic coupling vectors within linear response time-dependent density functional theory

Non-adiabatic Dynamics Using Time-Dependent Density Functional Theory: assessing the Coupling Strengths

Development of a non-adiabatic ab initio molecular dynamics method and its application to photodynamical processes

Role of nonadiabatic untrapped electrons in global electrostatic ion temperature gradient driven modes in a tokamak

Superadiabaticity in magnetic resonance

Graph Chatbot

Chat with Graph Search

Communications: Evaluation of the nondiabaticity of quantum molecular dynamics with the dephasing representation of quantum fidelity

Coherent ultrafast torsional motion and isomerization of a biomimetic dipolar photoswitch

Non-adiabatic coupling vectors within linear response time-dependent density functional theory

Role of nonadiabatic untrapped electrons in global electrostatic ion temperature gradient driven modes in a tokamak

Ultrafast X-ray and Optical Spectroscopy of Binuclear Molecular Complexes

Selective adsorption and electronic interaction of F16CuPc on epitaxial graphene

Absorption spectroscopy of adenine, 9-methyladenine, and 2-aminopurine in helium nanodroplets

Non-adiabatic Dynamics Using Time-Dependent Density Functional Theory: assessing the Coupling Strengths

Development of a non-adiabatic ab initio molecular dynamics method and its application to photodynamical processes

Superadiabaticity in magnetic resonance