Optical Absorption Spectra Calculated Using Linear-Scaling Density-Functional Theory, Laura Ratcliff
Автор: D.E. Ellis Название: Density Functional Theory of Molecules, Clusters, and Solids ISBN: 9401042187 ISBN-13(EAN): 9789401042185 Издательство: Springer Рейтинг: Цена: 26122.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Rapid advances are taking place in the application of density functional theory (DFT) to describe complex electronic structures, to accurately treat large systems and to predict physical and chemical properties.
Описание: Other topics covered include a study of some simple one dimensional basis sets and the presentation of two methods for band structure calculation using localized basis sets, both of which have important implications for the use of localized basis sets within LS-DFT.
Автор: Masataka Nakazawa; Kazuro Kikuchi; Tetsuya Miyazak Название: High Spectral Density Optical Communication Technologies ISBN: 3642264417 ISBN-13(EAN): 9783642264412 Издательство: Springer Рейтинг: Цена: 19589.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This book covers the state-of-the-art in optical communication technology. Main topics treated are electronic and optical devices, digital signal processing including forward error correction, modulation formats and transmission and application systems.
Описание: This volume outlines how absorption spectroscopy is important to the investigation of deep-level centers introduced in semiconductors and insulators. It also explains how vibrational spectroscopy determines the atomic structure and symmetry of complexes.
Автор: Takao Tsuneda Название: Density Functional Theory in Quantum Chemistry ISBN: 443156344X ISBN-13(EAN): 9784431563440 Издательство: Springer Рейтинг: Цена: 13059.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This book examines density functional theory based on the foundation of quantum chemistry. Unconventional in approach, it reviews basic concepts, then describes the physical meanings of state-of-the-art exchange-correlation functionals and their corrections.
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.
Описание: Covering both theory and applications, this important work provides a comprehensive introduction to the modern theory of X-ray and electronic spectra of free atoms.
Описание: Semiconducting and Insulating Crystals details how absorption spectroscopy provides information on the nature, concentration, charge state and configuration of impurities in crystals, and also on their kinetics and transformations under annealing.
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: Mahan, Gerald D. Subbaswamy, K. R. Название: Local density theory of polarizability ISBN: 1489924884 ISBN-13(EAN): 9781489924889 Издательство: Springer Рейтинг: Цена: 18284.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Density functional theory in the Local Density Approximation (LDA) has been shown to be a very accurate method for calculating ground state prop- erties of electronic system. For static external fields, the induced moments are properties of the ground state.
Автор: Takao Tsuneda Название: Density Functional Theory in Quantum Chemistry ISBN: 4431548246 ISBN-13(EAN): 9784431548249 Издательство: Springer Рейтинг: Цена: 15672.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This book examines density functional theory based on the foundation of quantum chemistry. Unconventional in approach, it reviews basic concepts, then describes the physical meanings of state-of-the-art exchange-correlation functionals and their corrections.
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