Thursday, March 7, 2013
3:00 PM - 4:00 PM
Where: Ryan Hall, Room 4003, 2190 Campus Drive, Evanston, IL 60208 map it
Audience: Faculty/Staff - Student
Professor Joseph Subotnik of the Department of Chemistry at the University of Pennsylvania is to give a seminar at the ANSER CENTER.
A Molecular Interpretation of Marcus Theory From The Surface Hopping Perspective
In this talk, Dr Subotnik will discuss how nonadiabatic events and electronic relaxation occur in the context of surface‐hopping dynamics for condensed phase systems, and he will discuss in detail when and how we should consider successive events to be correlated. Dr Subotnik will then introduce a new way to consider the role of decoherence in condensed phase dynamics, and he
will show that this decoherence time scale is crucial for understanding the fundamentals of Marcus theory. Finally, time permitting, Dr Subotnik will discuss the interpretation of electronic momentum and the role of electronic currents in nonadiabatic events, quantities which are often ignored by the Born‐Oppenheimer approximation. This talk will merge techniques from electronic structure theory and dynamics, two often separate fields whose intersection is becoming very fruitful for modern research in theoretical chemistry.
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