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For academic researchers, postdocs, graduate and undergraduate students, "Quantum Chemistry and Dynamics of Excited States : Methods and Applications" reports the most updated and accurate theoretical techniques to treat electronic excited states. From methods to deal with stationary calculations through time-dependent simulations of molecular systems, this book serves as a guide for beginners in the field and knowledge seekers alike. Taking into account the most recent theory developments and representative applications, it also covers the often-overlooked gap between theoretical and computational chemistry.An excellent reference for both researchers and students, Excited States provides essential knowledge on quantum chemistry, an in-depth overview of the latest developments, and theoretical techniques around the properties and nonadiabatic dynamics of chemical systems.

Quantum chemistry. --- Excited state chemistry. --- Chimie quantique --- Chimie des états excités --- Chimie des états excités

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Picosecond pulses --- Excited state chemistry --- Impulsions picosecondes --- Chimie des états excités --- Congresses --- Congrès --- Congresses. --- Chimie des états excités --- Congrès

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Excited state chemistry --- Photochemistry --- Chimie des états excités --- Photochimie --- Light --- Photolysis (Chemistry) --- Chemistry, Physical and theoretical --- Energy levels (Quantum mechanics) --- Quantum chemistry --- Chemical action --- Chimie des états excités --- PHYSICAL CHEMISTRY --- MOLECULES --- NUCLEIC ACIDS --- VIBRATION --- BENZENE --- POLYMERS --- MECHANICS --- QUANTUM MECHANICS --- STATISTICAL

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530.145 --- Excited state chemistry --- -#WSCH:AAS2 --- Chemistry, Physical and theoretical --- Energy levels (Quantum mechanics) --- Quantum chemistry --- 530.145 Quantum theory --- Quantum theory --- Congresses --- Chimie des états excités --- -Molecular theory --- Energy terms --- Wave functions --- Energy terms. --- Wave functions. --- Chimie des états excités --- fysicochemie --- #WSCH:AAS2 --- Atomic theory --- Electromagnetic fields. --- Molecular theory --- Congresses. --- Matter --- Constitution --- Congrès

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There exists a large literature on the spectroscopic properties of copper(II) com- 9 pounds. This is due to the simplicity of the d electron configuration, the wide variety of stereochemistries that copper(II) compounds can adopt, and the f- xional geometric behavior that they sometimes exhibit [1]. The electronic and geometric properties of a molecule are inexorably linked and this is especially true with six-coordinate copper(II) compounds which are subject to a Jahn-T- ler effect.However,the spectral-structural correlations that are sometimes d- wn must often be viewed with caution as the information contained in a typical solution UV-Vis absorption spectrum of a copper(II) compound is limited. Meaningful spectral-structural correlations can be obtained in a related series of compounds where detailed spectroscopic data is available. In the fol- 4– lowing sections two such series are examined; the six-coordinate CuF and 6 2+ Cu(H O) ions doped as impurities in single crystal hosts.Using low tempera- 2 6 ture polarized optical spectroscopy and electron paramagnetic resonance, a very detailed picture can be drawn about the geometry of these ions in both their ground and excited electronic states. We then compare the spectrosco- cally determined structural data with that obtained from X-ray diffraction or EXAFS measurements.

Transition metal compounds. --- Rare earth metal compounds. --- Excited state chemistry. --- Métaux de transition --- Métaux des terres rares --- Chimie des états excités --- Composés --- Metaux de transition --- Metaux des terres rares --- Chimie des etats excites. --- Spectroscopie de luminescence. --- Chimie des etats excites --- Composes. --- Chemistry. --- Inorganic chemistry. --- Organic chemistry. --- Physical chemistry. --- Optics. --- Optoelectronics. --- Plasmons (Physics). --- Inorganic Chemistry. --- Organic Chemistry. --- Physical Chemistry. --- Optics, Optoelectronics, Plasmonics and Optical Devices. --- 546.65 --- 661.865 --- #WSCH:AAS2 --- Rare earths in general --- Rare earth compounds in general --- 661.865 Rare earth compounds in general --- 546.65 Rare earths in general --- Physical organic chemistry. --- Chemistry, Inorganic. --- Spectrum analysis. --- Métaux de transition --- Métaux des terres rares --- Chimie des états excités --- Composés --- Lasers. --- Photonics. --- Optics, Lasers, Photonics, Optical Devices. --- New optics --- Optics --- Light amplification by stimulated emission of radiation --- Masers, Optical --- Optical masers --- Light amplifiers --- Light sources --- Optoelectronic devices --- Nonlinear optics --- Optical parametric oscillators --- Chemistry, Theoretical --- Physical chemistry --- Theoretical chemistry --- Chemistry --- Organic chemistry --- Inorganic chemistry --- Inorganic compounds --- Metaux de transition - Composes. --- Metaux des terres rares - Composes. --- Rare earth compounds --- Transition metal compounds