Relaxation Processes in Molecular Excited States, J. F?nfschilling
Автор: Nicolas Ferr?; Michael Filatov; Miquel Huix-Rotlla Название: Density-Functional Methods for Excited States ISBN: 3319387243 ISBN-13(EAN): 9783319387246 Издательство: Springer Рейтинг: Цена: 28732.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Current status and recent developments in linear response TD-DFT.- Density matrix functional theory (DMFT) and linear response time-dependent DMFT (TD-DMFT) for excited states.- Ensemble DFT for strongly correlated molecules and excited states.- Dynamical processes in open quantum systems from a TD-DFT perspective.- Computational Molecular Spectroscopy with TD-DFT.- Non-linear response and multi-dimensional spectroscopy using time-dependent DFT.- Absorption spectroscopy, emissive properties and ultra-fast intersystem crossing processes in transition metal complexes: TD-DFT and Spin-Orbit Coupling.- Excitons and extended systems in TD-DFT.- Conical intersections with DFT methods.- Multi-scale modeling of photochemistry with TD-DFT.- Semi-classical surface-hopping dynamics using potential energy surfaces from time-dependent DFT calculations.
Автор: Baldassare di Bartolo Название: Optical Properties of Excited States in Solids ISBN: 1461363276 ISBN-13(EAN): 9781461363279 Издательство: Springer Рейтинг: Цена: 15672.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Proceedings of an International School of Atomic and Molecular Spectroscopy Tenth Course and NATO ASI held in Erice, Italy, June 16-30, 1991
Автор: Nicolas Ferr?; Michael Filatov; Miquel Huix-Rotlla Название: Density-Functional Methods for Excited States ISBN: 3319220802 ISBN-13(EAN): 9783319220802 Издательство: Springer Рейтинг: Цена: 39130.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Current status and recent developments in linear response TD-DFT.- Density matrix functional theory (DMFT) and linear response time-dependent DMFT (TD-DMFT) for excited states.- Ensemble DFT for strongly correlated molecules and excited states.- Dynamical processes in open quantum systems from a TD-DFT perspective.- Computational Molecular Spectroscopy with TD-DFT.- Non-linear response and multi-dimensional spectroscopy using time-dependent DFT.- Absorption spectroscopy, emissive properties and ultra-fast intersystem crossing processes in transition metal complexes: TD-DFT and Spin-Orbit Coupling.- Excitons and extended systems in TD-DFT.- Conical intersections with DFT methods.- Multi-scale modeling of photochemistry with TD-DFT.- Semi-classical surface-hopping dynamics using potential energy surfaces from time-dependent DFT calculations.
Автор: A. Pullman; N. Goldblum Название: Excited States in Organic Chemistry and Biochemistry ISBN: 9027708533 ISBN-13(EAN): 9789027708533 Издательство: Springer Рейтинг: Цена: 30039.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Proceedings of the 10th Jerusalem Symposium on Quantum Chemistry and Biochemistry held in Jerusalem, Israel, March 28-31, 1977
Описание: This book describes the investigation of an unknown steric effect in the reaction between a vibrationally excited methane molecule colliding with the surface of the nickel crystal, a discovery which could lead to improvements in commercial hydrogen production.
Автор: Pierre Turq; Josef M.G. Barthel; Marius Chemla Название: Transport, Relaxation, and Kinetic Processes in Electrolyte Solutions ISBN: 354055002X ISBN-13(EAN): 9783540550020 Издательство: Springer Рейтинг: Цена: 18167.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: The chemist or chemical engineer, or anyone working with complex electrolyte solutions in applied research wants a general representa- tion of the transport phenomena which does not reduce the natural complexity of the multicomponent systems.
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