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In the last few years, much attention has been given by theoretical chemists to the development of more accurate model functionals and faster computational techniques including excited electronic states. The 8th International Conference on the Applications of Density Functional Theory to Chemistry and Physics, held in Rome, Italy, on 6-10 September 1999, gathered chemists and physicists to present and discuss state-of-the-art methodological developments and applications of density functional theory (DFT) to increasingly complex systems. The scientists shared their knowledge and experience in
Density functionals. --- Quantum chemistry. --- Electronic structure. --- Structure, Electronic --- Atomic structure --- Energy-band theory of solids --- Chemistry, Quantum --- Chemistry, Physical and theoretical --- Quantum theory --- Excited state chemistry --- Density functional methods --- Density functional theory --- Functional methods, Density --- Functionals, Density --- Functional analysis
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Since the introduction of quantum mechanics, the general theory of solid state physics has developed very rapidly. To date, a number of good textbooks on general solid state physics have been written. However, research in solid state physics has become highly specialized and undertaken in narrow fields. There is thus a great need for elementary textbooks that deal in detail with the study of solids in a particular field in order to give students basic knowledge in that field. Metallic solids with an impurity, generally called alloys, are of immense importance from both fundamental and technological points of view. The pioneering work of Bloember gen and Rowland (1953) gave considerable impetus to the study of the electronic structure of metallic alloys. Serious theoretical study in this field started in 1960 and, during the last two decades, considerable success in understanding the electronic structure of simple metal alloys has been achieved. Nonetheless the theoretical study of dilute alloys of transition metals is still in its infancy. At present there are few review articles and original research papers that examine the role of an impurity with respect to the electronic structure and properties of metallic alloys. Because of the absence of an elementary textbook that presents a comprehensive account of different aspects of the electronic structure of metallic alloys, I have written this elementary textbook on the theory of the electronic structure of metallic alloys.
Alloys. --- Electronic structure. --- Condensed matter. --- Inorganic chemistry. --- Physical chemistry. --- Condensed Matter Physics. --- Inorganic Chemistry. --- Physical Chemistry. --- Chemistry, Theoretical --- Physical chemistry --- Theoretical chemistry --- Chemistry --- Inorganic chemistry --- Inorganic compounds --- Condensed materials --- Condensed media --- Condensed phase --- Materials, Condensed --- Media, Condensed --- Phase, Condensed --- Liquids --- Matter --- Solids
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This book contains contributions to the 172. WE-Heraeus-Seminar “Atoms and Molecules in Strong External Fields,” which took place April 7–11 1997 at the Phys- zentrum Bad Honnef (Germany). The designation “strong fields” applies to external static magnetic, and/or electric fields that are sufficiently intense to cause alterations in the atomic or molecular str- ture and dynamics. The specific topics treated are the behavior and properties of atoms in strong static fields, the fundamental aspects and electronic structure of molecules in strong magnetic fields, the dynamics and aspects of chaos in highly excited R- berg atoms in external fields, matter in the atmosphere of astrophysical objects (white dwarfs, neutron stars), and quantum nanostructures in strong magnetic fields. It is obvious that the elaboration of the corresponding properties in these regimes causes the greatest difficulties, and is incomplete even today. Present-day technology has made it possible for many research groups to study the behavior of matter in strong external fields, both experimentally and theore- cally, where the phrase “experimentally” includes the astronomical observations. - derstanding these systems requires the development of modern theories and powerful computational techniques. Interdisciplinary collaborations will be helpful and useful in developing more efficient methods to understand these important systems. Hence the idea was to bring together people from different fields like atomic and molecular physics, theoretical chemistry, astrophysics and all those colleagues interested in aspects of few-body systems in external fields.
Electronic structure --- Rydberg states --- Electric fields --- Magnetic fields --- White dwarf stars --- Neutron stars --- Astrophysics --- Atomic, Molecular, Optical and Plasma Physics. --- Theoretical, Mathematical and Computational Physics. --- Astronomy, Observations and Techniques. --- Atoms. --- Physics. --- Mathematical physics. --- Observations, Astronomical. --- Astronomy—Observations. --- Astronomical observations --- Observations, Astronomical --- Physical mathematics --- Physics --- Natural philosophy --- Philosophy, Natural --- Physical sciences --- Dynamics --- Chemistry, Physical and theoretical --- Matter --- Stereochemistry --- Mathematics --- Constitution
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