- Coarse grained open system quantum dynamicsIoannis Thanopulos
Department of Chemistry, The University of British Columbia, Vancouver V6T 1Z3, Canada
J Chem Phys 129:194104. 2008..The utility of the method is demonstrated via computations in three following areas: molecular compounds, photonic materials, and condensed phases...
- Time-dependent partitioning theory of the control of radiationless transitions in 24-mode pyrazineIoannis Thanopulos
Theoretical and Physical Chemistry Institute, National Hellenic Research Foundation, Athens 116 35, Greece
J Chem Phys 137:064111. 2012..For example, after 60 fs, the S(2) population amounts to ∼60% of the initial S(0) population, and remains at ∼20% after 100 fs, in contrast to the S(0) electronic state which is completely depopulated within 75 fs...
- Intramolecular energy transfer dynamics in 24-mode pyrazine by partitioning technique: A time-dependent approachIoannis Thanopulos
Theoretical and Physical Chemistry Institute, National Hellenic Research Foundation, Athens 11635, Greece
J Chem Phys 133:154111. 2010..The former approach is applied to study the pyrazine picosecond S(2)→S(0) dynamics and the latter is applied to the study of the ultrafast pyrazine S(2)→S(1) decay dynamics...