Download or read book Many Body Green s Functions and the Bethe Salpeter Equation in Chemistry From Single Molecules to Complex Systems written by Bjoern Baumeier and published by Frontiers Media SA. This book was released on 2022-10-13 with total page 110 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Nuclear Science Abstracts written by and published by . This book was released on 1965 with total page 1652 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Dissertation Abstracts International written by and published by . This book was released on 1977 with total page 662 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1969 with total page 304 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Time Dependent Density Functional Theory written by Carsten Ullrich and published by Oxford University Press. This book was released on 2012 with total page 541 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Interacting Electrons written by Richard M. Martin and published by Cambridge University Press. This book was released on 2016-06-30 with total page 843 pages. Available in PDF, EPUB and Kindle. Book excerpt: Recent progress in the theory and computation of electronic structure is bringing an unprecedented level of capability for research. Many-body methods are becoming essential tools vital for quantitative calculations and understanding materials phenomena in physics, chemistry, materials science and other fields. This book provides a unified exposition of the most-used tools: many-body perturbation theory, dynamical mean field theory and quantum Monte Carlo simulations. Each topic is introduced with a less technical overview for a broad readership, followed by in-depth descriptions and mathematical formulation. Practical guidelines, illustrations and exercises are chosen to enable readers to appreciate the complementary approaches, their relationships, and the advantages and disadvantages of each method. This book is designed for graduate students and researchers who want to use and understand these advanced computational tools, get a broad overview, and acquire a basis for participating in new developments.
Download or read book Nonequilibrium Many Body Theory of Quantum Systems written by Gianluca Stefanucci and published by Cambridge University Press. This book was released on 2013-03-07 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: The Green's function method is one of the most powerful and versatile formalisms in physics, and its nonequilibrium version has proved invaluable in many research fields. This book provides a unique, self-contained introduction to nonequilibrium many-body theory. Starting with basic quantum mechanics, the authors introduce the equilibrium and nonequilibrium Green's function formalisms within a unified framework called the contour formalism. The physical content of the contour Green's functions and the diagrammatic expansions are explained with a focus on the time-dependent aspect. Every result is derived step-by-step, critically discussed and then applied to different physical systems, ranging from molecules and nanostructures to metals and insulators. With an abundance of illustrative examples, this accessible book is ideal for graduate students and researchers who are interested in excited state properties of matter and nonequilibrium physics.
Download or read book Quantum Theory of Many Particle Systems written by Alexander L. Fetter and published by Courier Corporation. This book was released on 2012-03-08 with total page 640 pages. Available in PDF, EPUB and Kindle. Book excerpt: Self-contained treatment of nonrelativistic many-particle systems discusses both formalism and applications in terms of ground-state (zero-temperature) formalism, finite-temperature formalism, canonical transformations, and applications to physical systems. 1971 edition.
Download or read book Condensed Matter Field Theory written by Alexander Altland and published by Cambridge University Press. This book was released on 2010-03-11 with total page 785 pages. Available in PDF, EPUB and Kindle. Book excerpt: This primer is aimed at elevating graduate students of condensed matter theory to a level where they can engage in independent research. Topics covered include second quantisation, path and functional field integration, mean-field theory and collective phenomena.
Download or read book Many Body Approach to Electronic Excitations written by Friedhelm Bechstedt and published by Springer. This book was released on 2014-12-01 with total page 596 pages. Available in PDF, EPUB and Kindle. Book excerpt: The many-body-theoretical basis and applications of theoretical spectroscopy of condensed matter, e.g. crystals, nanosystems, and molecules are unified in one advanced text for readers from graduate students to active researchers in the field. The theory is developed from first principles including fully the electron-electron interaction and spin interactions. It is based on the many-body perturbation theory, a quantum-field-theoretical description, and Green's functions. The important expressions for ground states as well as electronic single-particle and pair excitations are explained. Based on single-particle and two-particle Green's functions, the Dyson and Bethe-Salpeter equations are derived. They are applied to calculate spectral and response functions. Important spectra are those which can be measured using photoemission/inverse photoemission, optical spectroscopy, and electron energy loss/inelastic X-ray spectroscopy. Important approximations are derived and discussed in the light of selected computational and experimental results. Some numerical implementations available in well-known computer codes are critically discussed. The book is divided into four parts: (i) In the first part the many-electron systems are described in the framework of the quantum-field theory. The electron spin and the spin-orbit interaction are taken into account. Sum rules are derived. (ii) The second part is mainly related to the ground state of electronic systems. The total energy is treated within the density functional theory. The most important approximations for exchange and correlation are delighted. (iii) The third part is essentially devoted to the description of charged electronic excitations such as electrons and holes. Central approximations as Hedin's GW and the T-matrix approximation are discussed.(iv) The fourth part is focused on response functions measured in optical and loss spectroscopies and neutral pair or collective excitations.
Download or read book Recent Advances In Density Functional Methods Part Ii written by Delano Pun Chong and published by World Scientific. This book was released on 1997-05-14 with total page 340 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Discrete Inverse Problems written by Per Christian Hansen and published by SIAM. This book was released on 2010-01-01 with total page 220 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book gives an introduction to the practical treatment of inverse problems by means of numerical methods, with a focus on basic mathematical and computational aspects. To solve inverse problems, we demonstrate that insight about them goes hand in hand with algorithms.
Download or read book Physics Briefs written by and published by . This book was released on 1987 with total page 862 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Many Electron Densities and Reduced Density Matrices written by Jerzy Cioslowski and published by Springer Science & Business Media. This book was released on 2000-09-30 with total page 320 pages. Available in PDF, EPUB and Kindle. Book excerpt: Science advances by leaps and bounds rather than linearly in time. I t is not uncommon for a new concept or approach to generate a lot of initial interest, only to enter a quiet period of years or decades and then suddenly reemerge as the focus of new exciting investigations. This is certainly the case of the reduced density matrices (a k a N-matrices or RDMs), whose promise of a great simplification of quantum-chemical approaches faded away when the prospects of formulating the auxil iary yet essential N-representability conditions turned quite bleak. How ever, even during the period that followed this initial disappointment, the 2-matrices and their one-particle counterparts have been ubiquitous in the formalisms of modern electronic structure theory, entering the correlated-level expressions for the first-order response properties, giv ing rise to natural spinorbitals employed in the configuration interaction method and in rigorous analysis of electronic wavefunctions, and al lowing direct calculations of ionization potentials through the extended Koopmans'theorem. The recent research of Nakatsuji, Valdemoro, and Mazziotti her alds a renaissance of the concept of RDlvls that promotes them from the role of interpretive tools and auxiliary quantities to that of central variables of new electron correlation formalisms. Thanks to the economy of information offered by RDMs, these formalisms surpass the conven tional approaches in conciseness and elegance of formulation. As such, they hold the promise of opening an entirely new chapter of quantum chemistry.
Download or read book Relativistic Many Body Theory written by Ingvar Lindgren and published by Springer. This book was released on 2016-04-28 with total page 406 pages. Available in PDF, EPUB and Kindle. Book excerpt: This revised second edition of the author’s classic text offers readers a comprehensively updated review of relativistic atomic many-body theory, covering the many developments in the field since the publication of the original title. In particular, a new final section extends the scope to cover the evaluation of QED effects for dynamical processes. The treatment of the book is based upon quantum-field theory, and demonstrates that when the procedure is carried to all orders of perturbation theory, two-particle systems are fully compatible with the relativistically covariant Bethe-Salpeter equation. This procedure can be applied to arbitrary open-shell systems, in analogy with the standard many-body theory, and it is also applicable to systems with more than two particles. Presently existing theoretical procedures for treating atomic systems are, in several cases, insufficient to explain the accurate experimental data recently obtained, particularly for highly charged ions. The main text is divided into three parts. In Part I, the standard time-independent and time-dependent perturbation procedures are reviewed. This includes a new section at the end of chapter 2 concerning the so-called ”Fock-space procedure” or ”Coulomb-only procedure” for relativistic-QED calculations . This is a procedure on an intermediate level, frequently used in recent time by chemists on molecular systems, where a full QED treatment is out of question. Part II describes three methods for QED calculations, a) the standard S-matrix formulation, b) the Two-times Green’s-function method, developed by the St Petersburg Atomic Theory group, and c) the Covariant-evolution operator (CEO) method, recently developed by the Gothenburg Atomic Theory group. In Part III, the CEO method is combined with electron correlation to arbitrary order to a unified MBPT-QED procedure. The new Part IV includes two new chapters dealing with dynamical properties and how QED effects can be evaluated for such processes. This part is much needed as there has been an increasing interest in the study of QED effects for such processes. All methods treated in the book are illustrated with numerical examples, making it a text suitable for advanced students new to the field and a useful reference for established researchers.
Download or read book Reviews in Computational Chemistry written by Abby L. Parrill and published by John Wiley & Sons. This book was released on 2017-03-16 with total page 392 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Reviews in Computational Chemistry series brings together leading authorities in the field to teach the newcomer and update the expert on topics centered on molecular modeling. • Provides background and theory, strategies for using the methods correctly, pitfalls to avoid, applications, and references • Contains updated and comprehensive compendiums of molecular modeling software that list hundreds of programs, services, suppliers and other information that every chemist will find useful • Includes detailed indices on each volume help the reader to quickly discover particular topics • Uses a tutorial manner and non-mathematical style, allowing students and researchers to access computational methods outside their immediate area of expertise
Download or read book Density Functional Methods In Physics written by Reiner M. Dreizler and published by Springer Science & Business Media. This book was released on 2013-11-11 with total page 530 pages. Available in PDF, EPUB and Kindle. Book excerpt:
