Seems you have not registered as a member of localhost.saystem.shop!
You may have to register before you can download all our books and magazines, click the sign up button below to create a free account.
Density Functional Theory
Density Functional Theory (DFT) has firmly established itself as the workhorse for atomic-level simulations of condensed phases, pure or composite materials and quantum chemical systems. This work offers a rigorous and detailed introduction to the foundations of this theory, up to and including such advanced topics as orbital-dependent functionals as well as both time-dependent and relativistic DFT. Given the many ramifications of contemporary DFT, the text concentrates on the self-contained presentation of the basics of the most widely used DFT variants: this implies a thorough discussion of the corresponding existence theorems and effective single particle equations, as well as of key appr...
The Electron Liquid Paradigm in Condensed Matter Physics
The electron liquid paradigm is at the basis of most of our current understanding of the physical properties of electronic systems. Quite remarkably, the latter are nowadays at the intersection of the most exciting areas of science: materials science, quantum chemistry, nano-electronics, biology and quantum computation. Accordingly, its importance can hardly be overestimated. During the past 20 years the field has witnessed momentous developments, which are partly covered in this new volume. Advances in semiconductor technology have allowed the realizations of ultra-pure electron liquids whose density, unlike that of the ones spontaneously occurring in nature, can be tuned by electrical mean...
Condensed Matter Theories
Drawn from the 24th International Workshop on Condensed Matter Theories (Buenes Aires, Sep. 2000) these 45 papers, while centered on the concepts and techniques of condensed-matter physics, also address broad issues of common concern for theorists who apply advanced many-particle methods in other areas of physics. Five primary topics are covered by the contributions: quantum liquids, boson condensates, strongly-correlated electron systems, superconductivity and superfluidity, and phase transitions. Some of examples of specific questions addressed include shot noise of mesoscopic quantum systems, heat transport in superlattices, transitions from non-colinear to conlinear structures in a magnetic multilayer model, order-disorder transitions in a vortex lattice, perturbation theory in the one-phase region of an electron-ion system, and nonlinear dynamics in metal clusters. c. Book News Inc.
The Fundamentals of Electron Density, Density Matrix and Density Functional Theory in Atoms, Molecules and the Solid State
This volume records the proceedings of a Forum on The Fundamentals of Electron Density, Density Matrix and Density Functional Theory in Atoms, Molecules and the Solid State held at the Coseners' House, Abingdon-on-Thames, Oxon. over the period 31st May - 2nd June, 2002. The forum consisted of 26 oral and poster presentations followed by a discussion structure around questions and comments submitted by the participants (and others who had expressed an interest) in advance of the meeting. Quantum mechanics provides a theoretical foundation for our under standing of the structure and properties of atoms, molecules and the solid state in terms their component particles, electrons and nuclei. (Rel ativistic quantum mechanics is required for molecular systems contain ing heavy atoms.) However, the solution of the equations of quantum mechanics yields a function, a wave function, which depends on the co ordinates, both space and spin, of all of the particles in the system. This functions contains much more information than is required to yield the energy or other property.
Time-Dependent Density-Functional Theory
Time-dependent density-functional theory (TDDFT) is a quantum mechanical approach for the dynamical properties of electrons in matter. It's widely used in (bio)chemistry and physics to calculate molecular excitation energies and optical properties of materials. This is the first graduate-level text on the formal framework and applications of TDDFT.
Computer Simulations in Condensed Matter: From Materials to Chemical Biology. Volume 1
This comprehensive collection of lectures by leading experts in the field introduces and reviews all relevant computer simulation methods and their applications in condensed matter systems. Volume 1 is an in-depth introduction to a vast spectrum of computational techniques for statistical mechanical systems of condensed matter. Volume 2 is a collection of state-of-the-art surveys on numerical experiments carried out for a great number of systems.
High-Performance Computing
Over the past decade high performance computing has demonstrated the ability to model and predict accurately a wide range of physical properties and phenomena. Many of these have had an important impact in contributing to wealth creation and improving the quality of life through the development of new products and processes with greater efficacy, efficiency or reduced harmful side effects, and in contributing to our ability to understand and describe the world around us. Following a survey ofthe U.K.'s urgent need for a supercomputingfacility for aca demic research (see next chapter), a 256-processor T3D system from Cray Research Inc. went into operation at the University of Edinburgh in the...
Electron Correlations and Materials Properties 2
This is the second in a series of "International Workshops on Electron Correlations and Materials Properties. " The aim of this series of workshops is to provide a periodic (triennial) and in-depth assessment of advances in the study and understanding of the effects that electron-electron interactions in solids have on the determination of measurable properties of materials. The workshop is structured to include exposure to experimental work, to phenomenology, and to ab initio theory. Since correlation effects are pervasive the workshop aims to concentrate on the identification of promising developing methodology, experimental and theoretical, addressing the most critical frontier issues of ...
Recent Advances In Density Functional Methods, Part Ii
Of all the different areas in computational chemistry, density functional theory (DFT) enjoys the most rapid development. Even at the level of the local density approximation (LDA), which is computationally less demanding, DFT can usually provide better answers than Hartree-Fock formalism for large systems such as clusters and solids. For atoms and molecules, the results from DFT often rival those obtained by ab initio quantum chemistry, partly because larger basis sets can be used. Such encouraging results have in turn stimulated workers to further investigate the formal theory as well as the computational methodology of DFT.This Part II expands on the methodology and applications of DFT. Some of the chapters report on the latest developments (since the publication of Part I in 1995), while others extend the applications to wider range of molecules and their environments. Together, this and other recent review volumes on DFT show that DFT provides an efficient and accurate alternative to traditional quantum chemical methods. Such demonstration should hopefully stimulate frutiful developments in formal theory, better exchange-correlation functionals, and linear scaling methodology.
