Lab Home | Phone | Search
Center for Nonlinear Studies  Center for Nonlinear Studies
 Home 
 People 
 Current 
 Executive Committee 
 Postdocs 
 Visitors 
 Students 
 Research 
 Publications 
 Conferences 
 Workshops 
 Sponsorship 
 Talks 
 Seminars 
 Postdoc Seminars Archive 
 Quantum Lunch 
 Quantum Lunch Archive 
 P/T Colloquia 
 Archive 
 Ulam Scholar 
 
 Postdoc Nominations 
 Student Requests 
 Student Program 
 Visitor Requests 
 Description 
 Past Visitors 
 Services 
 General 
 
 History of CNLS 
 
 Maps, Directions 
 CNLS Office 
 T-Division 
 LANL 
 
Wednesday, September 22, 2010
10:30 AM - 11:00 AM
CNLS Conference Room (TA-3, Bldg 1690)

Student Seminar

Modeling of Non-adiabatic Photoinduced Dynamics in Conjugated Molecules

Tammie Nelson
T-CNLS/T-1 and University of Washington

The nonadiabatic photoinduced dynamics of the pi-conjugated PPV3 oligomer have been modeled using the established method for the simulation of excited state molecular dynamics. Specific slow and fast nuclear motions strongly couple to the electronic degrees of freedom, namely torsion and bond stretching, respectively. The potential energy surface with respect to these nuclear coordinates provides a profound insight into photoinduced dynamics in these systems, and our simulations have shown that the dynamics are in agreement with the predicted result. Nonadiabatic relaxation of the highly excited mAg state has been predicted to occur on a fs timescale."

Host: Sergei Tretiak