Add to ORKGWe discuss the usefulness of Born-Oppenheimer potential surfaces for nuclear dynamics for molecules strongly coupled to metal surfaces. A simple model demonstrating the construction of such surface for a molecular junction is discussed
We review studies of molecular interactions and chemical reactions at metal surfaces, emphasizing pr...
Beginning with the seminal paper of Born and Oppenheimer (BO) [1] in 1927, the concept of the poten...
Many chemical processes involve nuclear dynamics on multiple potential energy surfaces. These often ...
The coupled electronic-nuclear dynamics at molecule-metal interfaces are fundamental processes that ...
When considering the work of Carl Ballhausen on vibrational spectra, it is suggested that his use of...
Nuclear dynamics on coupled potential surfaces can lead to bound states embedded in the continuum. F...
We discuss nuclear dynamics at molecule-metal interfaces including nonequilibrium molecular junction...
The coupled electronic-nuclear dynamics at molecule-metal interfaces are fundamental processes that ...
Author Institution: Department of Chemistry, University of British ColumbiaVibronic coupling arises ...
a b s t r a c t We have applied the open-system treatment, recently developed by the authors, to a s...
The Born-Oppenheimer approximation of uncoupled electronic and nuclear motion is a standard tool of ...
While the treatment of conical intersections in molecular dynamics generally requires nonadiabatic a...
In this publication is presented a new treatment of conical intersection effects in molecular system...
Abstract. Born-Oppenheimer, Smoluchowski, Langevin, Ehrenfest and surface-hopping dynamics are shown...
We discuss nuclear dynamics at molecule–metal interfaces including nonequilibrium molecular junction...
We review studies of molecular interactions and chemical reactions at metal surfaces, emphasizing pr...
Beginning with the seminal paper of Born and Oppenheimer (BO) [1] in 1927, the concept of the poten...
Many chemical processes involve nuclear dynamics on multiple potential energy surfaces. These often ...
The coupled electronic-nuclear dynamics at molecule-metal interfaces are fundamental processes that ...
When considering the work of Carl Ballhausen on vibrational spectra, it is suggested that his use of...
Nuclear dynamics on coupled potential surfaces can lead to bound states embedded in the continuum. F...
We discuss nuclear dynamics at molecule-metal interfaces including nonequilibrium molecular junction...
The coupled electronic-nuclear dynamics at molecule-metal interfaces are fundamental processes that ...
Author Institution: Department of Chemistry, University of British ColumbiaVibronic coupling arises ...
a b s t r a c t We have applied the open-system treatment, recently developed by the authors, to a s...
The Born-Oppenheimer approximation of uncoupled electronic and nuclear motion is a standard tool of ...
While the treatment of conical intersections in molecular dynamics generally requires nonadiabatic a...
In this publication is presented a new treatment of conical intersection effects in molecular system...
Abstract. Born-Oppenheimer, Smoluchowski, Langevin, Ehrenfest and surface-hopping dynamics are shown...
We discuss nuclear dynamics at molecule–metal interfaces including nonequilibrium molecular junction...
We review studies of molecular interactions and chemical reactions at metal surfaces, emphasizing pr...
Beginning with the seminal paper of Born and Oppenheimer (BO) [1] in 1927, the concept of the poten...
Many chemical processes involve nuclear dynamics on multiple potential energy surfaces. These often ...