Real-Time Dynamics and Conical Intersections
作者： Mark E. Casida , Bhaarathi Natarajan , Thierry Deutsch
DOI: 10.1007/978-3-642-23518-4_14
关键词: Classical mechanics 、 Time-dependent density functional theory 、 Structure (category theory) 、 Simple (abstract algebra) 、 Field (physics) 、 Conical intersection 、 Point (geometry) 、 Quantum 、 Conical surface 、 Computer science
摘要: This book chapter is a general introduction to photo-dynamics. An outlined structure the theoretical studies on classical/quantum/mixed dynamics were described from literature point of view. Such methods get constrained for practical applications due parametrizations/computational cost. As an alternate TDDFT-based are promising. we have shown that TDDFT calculations could be as accurate high quality monte-carlo and reliability locating conical intersection through simple ring-opening reaction oxirane. Pros cons photo-dynamics been presented development this fast evolving field.
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