Special Issue "Chemical Applications of Excited States: Method Development and Current Progress"
Deadline for manuscript submissions: 28 February 2024 | Viewed by 1130
2. Moscow Engineering Physics Institute, National Research Nuclear University,119421 Moscow, Russia
Interests: modeling of charge-transport and photophysics of organic semiconductors; theoretical chemistry and photophysics
Over last decades, theoretical chemistry has progressed so that accurate calculations of electronically excited states became possible. Light-induced phenomena in molecules and solids, as well as processes leading to light generation, can now be studied with confidence. This Special Issue is intended to demonstrate the progress in the computational methods for modeling electronically excited states of molecules and solids and applications of these methods to real systems. Of particular interest are examples demonstrating limitations of popular computational methods and how to overcome them. Practical applications may include (but not be limited to) systems of biological, technological, or purely fundamental interest.
The topics include (but are not limited to)
Theories and concepts for simulation of excited-state processesComputational methods for studying excited statesVerification of concepts and methodsCase studies of processes involving excited statesSoftware and databases for calculation of excited statesTutorials and educational content for theoretical chemistry of excited states.
Dr. Alexandra Freidzon
Manuscript Submission Information
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- quantum chemistry
- excited states
- light absorption
- light emission
- nonradiative processes
- energy transfer
- charge transfer
- photoinduced proton transfer
- excited state dynamics