Propagators In Quantum Chemistry

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Propagators in Quantum Chemistry

Author : Jan Linderberg
Publisher : John Wiley & Sons
ISBN 13 : 9780471662570
Total Pages : 282 pages
Book Rating : 4.6/5 (625 download)

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Book Synopsis Propagators in Quantum Chemistry by : Jan Linderberg

Download or read book Propagators in Quantum Chemistry written by Jan Linderberg and published by John Wiley & Sons. This book was released on 2004-03-26 with total page 282 pages. Available in PDF, EPUB and Kindle. Book excerpt: The only authoritative reference source on the propagator concept, now thoroughly revised and updated Much has changed in the study of quantum and theoretical chemistry since the publication of the first edition of Propagators in Quantum Chemistry. Advances in computer power and software packages now make it possible to calculate molecular structure, properties, spectra, and reactivity with greater predictive power. Chemical processes, especially under conditions not readily available in the laboratory, can also be much more easily studied via theory and computations. In this environment, the concept of propagators (or Green's functions) is emerging as an increasingly useful tool in the study of atomic and molecular processes. Propagators in Quantum Chemistry, Second Edition presents the theory and basic approximations of propagators in a unified manner as it provides: * A thorough introduction to propagators, and how they can be used to study atomic and molecular properties and spectra * Updated examples and technical details of the use of the propagator concept in various common approximate treatments * Problems that provide the opportunity to work out further details and applications of the theory Propagators, which are still gaining acceptance as tools in theoretical chemistry, have a long-demonstrated power and success in a number of areas including condensed matter physics. Propagators in Quantum Chemistry clearly describes the unprecedented utility and value of propagators, and explores how and why they are becoming increasingly important to scientists and researchers across the scientific spectrum.

Propagators in quantum chemistry

Author : J. Linderberg
Publisher :
ISBN 13 :
Total Pages : pages
Book Rating : 4.:/5 (878 download)

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Book Synopsis Propagators in quantum chemistry by : J. Linderberg

Download or read book Propagators in quantum chemistry written by J. Linderberg and published by . This book was released on 1973 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:

Approximate Propagators in Quantum Chemistry, and the Use of Geminal Wavefunctions

Author : Jonathan Robin Bental
Publisher :
ISBN 13 :
Total Pages : pages
Book Rating : 4.:/5 (59 download)

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Book Synopsis Approximate Propagators in Quantum Chemistry, and the Use of Geminal Wavefunctions by : Jonathan Robin Bental

Download or read book Approximate Propagators in Quantum Chemistry, and the Use of Geminal Wavefunctions written by Jonathan Robin Bental and published by . This book was released on 1982 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:

Many-body Theory Exposed! Propagator Description Of Quantum Mechanics In Many-body Systems (2nd Edition)

Author : Willem Hendrik Dickhoff
Publisher : World Scientific Publishing Company
ISBN 13 : 9813101318
Total Pages : 851 pages
Book Rating : 4.8/5 (131 download)

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Book Synopsis Many-body Theory Exposed! Propagator Description Of Quantum Mechanics In Many-body Systems (2nd Edition) by : Willem Hendrik Dickhoff

Download or read book Many-body Theory Exposed! Propagator Description Of Quantum Mechanics In Many-body Systems (2nd Edition) written by Willem Hendrik Dickhoff and published by World Scientific Publishing Company. This book was released on 2008-05-02 with total page 851 pages. Available in PDF, EPUB and Kindle. Book excerpt: This comprehensive textbook on the quantum mechanics of identical particles includes a wealth of valuable experimental data, in particular recent results from direct knockout reactions directly related to the single-particle propagator in many-body theory. The comparison with data is incorporated from the start, making the abstract concept of propagators vivid and accessible. Results of numerical calculations using propagators or Green's functions are also presented. The material has been thoroughly tested in the classroom and the introductory chapters provide a seamless connection with a one-year graduate course in quantum mechanics. While the majority of books on many-body theory deal with the subject from the viewpoint of condensed matter physics, this book emphasizes finite systems as well and should be of considerable interest to researchers in nuclear, atomic, and molecular physics. A unified treatment of many different many-body systems is presented using the approach of self-consistent Green's functions. The second edition contains an extensive presentation of finite temperature propagators and covers the technique to extract the self-energy from experimental data as developed in the dispersive optical model.The coverage proceeds systematically from elementary concepts, such as second quantization and mean-field properties, to a more advanced but self-contained presentation of the physics of atoms, molecules, nuclei, nuclear and neutron matter, electron gas, quantum liquids, atomic Bose-Einstein and fermion condensates, and pairing correlations in finite and infinite systems, including finite temperature.

Introduction to Quantum Mechanics

Author : S.M. Blinder
Publisher : Academic Press
ISBN 13 : 0128223111
Total Pages : 436 pages
Book Rating : 4.1/5 (282 download)

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Book Synopsis Introduction to Quantum Mechanics by : S.M. Blinder

Download or read book Introduction to Quantum Mechanics written by S.M. Blinder and published by Academic Press. This book was released on 2020-10-09 with total page 436 pages. Available in PDF, EPUB and Kindle. Book excerpt: Introduction to Quantum Mechanics, 2nd Edition provides an accessible, fully updated introduction to the principles of quantum mechanics. It outlines the fundamental concepts of quantum theory, discusses how these arose from classic experiments in chemistry and physics, and presents the quantum-mechanical foundations of current scientific developments.Beginning with a solid introduction to the key principles underpinning quantum mechanics in Part 1, the book goes on to expand upon these in Part 2, where fundamental concepts such as molecular structure and chemical bonding are discussed. Finally, Part 3 discusses applications of this quantum theory across some newly developing applications, including chapters on Density Functional Theory, Statistical Thermodynamics and Quantum Computing.Drawing on the extensive experience of its expert author, Introduction to Quantum Mechanics, 2nd Edition is a lucid introduction to the principles of quantum mechanics for anyone new to the field, and a useful refresher on fundamental knowledge and latest developments for those varying degrees of background. Presents a fully updated accounting that reflects the most recent developments in Quantum Theory and its applications Includes new chapters on Special Functions, Density Functional Theory, Statistical Thermodynamics and Quantum Computers Presents additional problems and exercises to further support learning

Many-Body Methods for Atoms, Molecules and Clusters

Author : Jochen Schirmer
Publisher : Springer
ISBN 13 : 3319936026
Total Pages : 332 pages
Book Rating : 4.3/5 (199 download)

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Book Synopsis Many-Body Methods for Atoms, Molecules and Clusters by : Jochen Schirmer

Download or read book Many-Body Methods for Atoms, Molecules and Clusters written by Jochen Schirmer and published by Springer. This book was released on 2018-11-02 with total page 332 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides an introduction to many-body methods for applications in quantum chemistry. These methods, originating in field-theory, offer an alternative to conventional quantum-chemical approaches to the treatment of the many-electron problem in molecules. Starting with a general introduction to the atomic and molecular many-electron problem, the book then develops a stringent formalism of field-theoretical many-body theory, culminating in the diagrammatic perturbation expansions of many-body Green's functions or propagators in terms of Feynman diagrams. It also introduces and analyzes practical computational methods, such as the field-tested algebraic-diagrammatic construction (ADC) schemes. The ADC concept can also be established via a wave-function based procedure, referred to as intermediate state representation (ISR), which bridges the gap between propagator and wave-function formulations. Based on the current rapid increase in computer power and the development of efficient computational methods, quantum chemistry has emerged as a potent theoretical tool for treating ever-larger molecules and problems of chemical and physical interest. Offering an introduction to many-body methods, this book appeals to advanced students interested in an alternative approach to the many-electron problem in molecules, and is suitable for any courses dealing with computational methods in quantum chemistry.

Second Quantization-Based Methods in Quantum Chemistry

Author : Poul Joergensen
Publisher : Elsevier
ISBN 13 : 0323141099
Total Pages : 185 pages
Book Rating : 4.3/5 (231 download)

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Book Synopsis Second Quantization-Based Methods in Quantum Chemistry by : Poul Joergensen

Download or read book Second Quantization-Based Methods in Quantum Chemistry written by Poul Joergensen and published by Elsevier. This book was released on 2012-12-02 with total page 185 pages. Available in PDF, EPUB and Kindle. Book excerpt: Second Quantization-Based Methods in Quantum Chemistry presents several modern quantum chemical tools that are being applied to electronic states of atoms and molecules. Organized into six chapters, the book emphasizes the quantum chemical methods whose developments and implementations have been presented in the language of second quantization. The opening chapter of the book examines the representation of the electronic Hamiltonian, other quantum-mechanical operators, and state vectors in the second-quantization language. This chapter also describes the unitary transformations among orthonormal orbitals in an especially convenient manner. In subsequent chapters, various tools of second quantization are used to describe many approximation techniques, such as Hartree-Fock, perturbation theory, configuration interaction, multiconfigurational Hartree-Fock, cluster methods, and Green’s function. This book is an invaluable source for researchers in quantum chemistry and for graduate-level students who have already taken introductory courses that cover the fundamentals of quantum mechanics through the Hartree-Fock method as applied to atoms and molecules.

Many-Body Quantum Theory in Condensed Matter Physics

Author : Henrik Bruus
Publisher : Oxford University Press
ISBN 13 : 0198566336
Total Pages : 458 pages
Book Rating : 4.1/5 (985 download)

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Book Synopsis Many-Body Quantum Theory in Condensed Matter Physics by : Henrik Bruus

Download or read book Many-Body Quantum Theory in Condensed Matter Physics written by Henrik Bruus and published by Oxford University Press. This book was released on 2004-09-02 with total page 458 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book is an introduction to quantum field theory applied to condensed matter physics. The topics cover modern applications in electron systems and electronic properties of mesoscopic systems and nanosystems. The textbook is developed for a graduate or advanced undergraduate course with exercises which aim at giving students the ability to confront real problems.

Many-Body Methods in Quantum Chemistry

Author : Uzi Kaldor
Publisher : Springer Science & Business Media
ISBN 13 : 3642934242
Total Pages : 354 pages
Book Rating : 4.6/5 (429 download)

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Book Synopsis Many-Body Methods in Quantum Chemistry by : Uzi Kaldor

Download or read book Many-Body Methods in Quantum Chemistry written by Uzi Kaldor and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 354 pages. Available in PDF, EPUB and Kindle. Book excerpt: The present volume contains the text of the invited lectures presented at the Symposium on Many Body Methods in Quantum Chemistry, held on the campus of Tel Aviv University in August 1988. The Symposium was a satellite meeting of the Sixth International Congress on Quantum Chemistry held in Jerusalem. The development and application of many-body methods in Quantum chemistry have been on the rise for a number of years. This is therefore a good time for an interim report on the state of the field. It is hoped that such a report is hereby provided, though it may not be complete. The Symposium was held under the auspices of Tel Aviv University, Raymond and Beverly Sackler Faculty of Exact Sciences, School of Chemistry. Other sponsors were the Israeli Academy of Sciences and Humanities, and the Israeli Ministry of Science and Development. Many thanks go to all of them. Finally, I would like to thank all the speakers and participants for making the meeting the enjoyable and (I hope) profitable experience it was. Tel Aviv, Israel Uzi Kaldor TESTS AND APPLICATIONS OF COMPLETE MODEL SPACE QUASIDEGENERATE MANY-BODY PERTURBATION THEORY FOR MOLECULES Karl F. Freed The James Franck Institute and Department of Chemistry The University of Chicago, Chicago, DUnois 60637 U.S.A.

Elementary Quantum Mechanics

Author : David S. Saxon
Publisher : Courier Corporation
ISBN 13 : 0486310418
Total Pages : 450 pages
Book Rating : 4.4/5 (863 download)

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Book Synopsis Elementary Quantum Mechanics by : David S. Saxon

Download or read book Elementary Quantum Mechanics written by David S. Saxon and published by Courier Corporation. This book was released on 2013-07-24 with total page 450 pages. Available in PDF, EPUB and Kindle. Book excerpt: Based on lectures for an undergraduate UCLA course in quantum mechanics, this volume focuses on the formulas of quantum mechanics rather than applications. Widely used in both upper-level undergraduate and graduate courses, it offers a broad self-contained survey rather than in-depth treatments. Topics include the dual nature of matter and radiation, state functions and their interpretation, linear momentum, the motion of a free particle, Schrödinger's equation, approximation methods, angular momentum, and many other subjects. In the interests of keeping the mathematics as simple as possible, most of the book is confined to considerations of one-dimensional systems. A selection of 150 problems, many of which require prolonged study, amplify the text's teachings and an appendix contains solutions to 50 representative problems. This edition also includes a new Introduction by Joseph A. Rudnick and Robert Finkelstein.

Advances in Quantum Chemistry

Author :
Publisher : Academic Press
ISBN 13 : 0123860148
Total Pages : 401 pages
Book Rating : 4.1/5 (238 download)

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Book Synopsis Advances in Quantum Chemistry by :

Download or read book Advances in Quantum Chemistry written by and published by Academic Press. This book was released on 2011-06-21 with total page 401 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features detailed reviews written by leading international researchers. This series provides a one-stop resource for following progress in this interdisciplinary area. Publishes articles, invited reviews and proceedings of major international conferences and workshops Written by leading international researchers in quantum and theoretical chemistry Highlights important interdisciplinary developments

Molecular Quantum Dynamics

Author : Fabien Gatti
Publisher : Springer Science & Business Media
ISBN 13 : 3642452906
Total Pages : 281 pages
Book Rating : 4.6/5 (424 download)

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Book Synopsis Molecular Quantum Dynamics by : Fabien Gatti

Download or read book Molecular Quantum Dynamics written by Fabien Gatti and published by Springer Science & Business Media. This book was released on 2014-04-09 with total page 281 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book focuses on current applications of molecular quantum dynamics. Examples from all main subjects in the field, presented by the internationally renowned experts, illustrate the importance of the domain. Recent success in helping to understand experimental observations in fields like heterogeneous catalysis, photochemistry, reactive scattering, optical spectroscopy, or femto- and attosecond chemistry and spectroscopy underline that nuclear quantum mechanical effects affect many areas of chemical and physical research. In contrast to standard quantum chemistry calculations, where the nuclei are treated classically, molecular quantum dynamics can cover quantum mechanical effects in their motion. Many examples, ranging from fundamental to applied problems, are known today that are impacted by nuclear quantum mechanical effects, including phenomena like tunneling, zero point energy effects, or non-adiabatic transitions. Being important to correctly understand many observations in chemical, organic and biological systems, or for the understanding of molecular spectroscopy, the range of applications covered in this book comprises broad areas of science: from astrophysics and the physics and chemistry of the atmosphere, over elementary processes in chemistry, to biological processes (such as the first steps of photosynthesis or vision). Nevertheless, many researchers refrain from entering this domain. The book "Molecular Quantum Dynamics" offers them an accessible introduction. Although the calculation of large systems still presents a challenge - despite the considerable power of modern computers - new strategies have been developed to extend the studies to systems of increasing size. Such strategies are presented after a brief overview of the historical background. Strong emphasis is put on an educational presentation of the fundamental concepts, so that the reader can inform himself about the most important concepts, like eigenstates, wave packets, quantum mechanical resonances, entanglement, etc. The chosen examples highlight that high-level experiments and theory need to work closely together. This book thus is a must-read both for researchers working experimentally or theoretically in the concerned fields, and generally for anyone interested in the exciting world of molecular quantum dynamics.

Reviews in Computational Chemistry

Author : Abby L. Parrill
Publisher : John Wiley & Sons
ISBN 13 : 1119356008
Total Pages : 392 pages
Book Rating : 4.1/5 (193 download)

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Book Synopsis Reviews in Computational Chemistry by : Abby L. Parrill

Download or read book Reviews in Computational Chemistry written by Abby L. Parrill and published by John Wiley & Sons. This book was released on 2017-03-07 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

An Introduction To Quantum Field Theory

Author : Michael E. Peskin
Publisher : CRC Press
ISBN 13 : 0429983182
Total Pages : 866 pages
Book Rating : 4.4/5 (299 download)

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Book Synopsis An Introduction To Quantum Field Theory by : Michael E. Peskin

Download or read book An Introduction To Quantum Field Theory written by Michael E. Peskin and published by CRC Press. This book was released on 2018-05-04 with total page 866 pages. Available in PDF, EPUB and Kindle. Book excerpt: An Introduction to Quantum Field Theory is a textbook intended for the graduate physics course covering relativistic quantum mechanics, quantum electrodynamics, and Feynman diagrams. The authors make these subjects accessible through carefully worked examples illustrating the technical aspects of the subject, and intuitive explanations of what is going on behind the mathematics. After presenting the basics of quantum electrodynamics, the authors discuss the theory of renormalization and its relation to statistical mechanics, and introduce the renormalization group. This discussion sets the stage for a discussion of the physical principles that underlie the fundamental interactions of elementary particle physics and their description by gauge field theories.

Mathematical Physics in Theoretical Chemistry

Author : S. M. Blinder
Publisher : Elsevier
ISBN 13 : 0128137010
Total Pages : 423 pages
Book Rating : 4.1/5 (281 download)

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Book Synopsis Mathematical Physics in Theoretical Chemistry by : S. M. Blinder

Download or read book Mathematical Physics in Theoretical Chemistry written by S. M. Blinder and published by Elsevier. This book was released on 2018-11-26 with total page 423 pages. Available in PDF, EPUB and Kindle. Book excerpt: Mathematical Physics in Theoretical Chemistry deals with important topics in theoretical and computational chemistry. Topics covered include density functional theory, computational methods in biological chemistry, and Hartree-Fock methods. As the second volume in the Developments in Physical & Theoretical Chemistry series, this volume further highlights the major advances and developments in research, also serving as a basis for advanced study. With a multidisciplinary and encompassing structure guided by a highly experienced editor, the series is designed to enable researchers in both academia and industry stay abreast of developments in physical and theoretical chemistry. Brings together the most important aspects and recent advances in theoretical and computational chemistry Covers computational methods for small molecules, density-functional methods, and computational chemistry on personal and quantum computers Presents cutting-edge developments in theoretical and computational chemistry that are applicable to graduate students and research professionals in chemistry, physics, materials science and biochemistry

Excited States in Quantum Chemistry

Author : Cleanthes A. Nicolaides
Publisher : Springer Science & Business Media
ISBN 13 : 940099902X
Total Pages : 572 pages
Book Rating : 4.4/5 (9 download)

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Book Synopsis Excited States in Quantum Chemistry by : Cleanthes A. Nicolaides

Download or read book Excited States in Quantum Chemistry written by Cleanthes A. Nicolaides and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 572 pages. Available in PDF, EPUB and Kindle. Book excerpt: It is undoubtedly true that much of the progress in the quant~m theory of matter is due to the remarkable success of the independent particle model (IPM)--especially in describing ground states. However, the accurate experimental results of the last 10 years or so, on a variety of spectroscopic phenomena and chemical processes which involve the Excited State, and the related failure of the IPM to reproduce accurately--in many cases, even qualitatively--the observed data, have sent to theorists a clear message: There is need to create and/or apply general and useful approaches to the many-electron problem of the excited state which go beyond the IPM, treat electron correlation and relativity and explain or predict all relevant physical or chemical information with consistent accuracy. This book contains articles devoted mainly to some of the most important new developments in Quantum Chemistry concerning the theoretical foundations and the computational implementation of many-body approaches to the quantitative and detailed under standing of the electronic excited states of atoms, molecules and solids. Furthermore, it contains experimental and pheno menological articles on Photoelectron and Auger spectroscopy, Lifetime measurements and Organic Photochemistry. In combination or individually, these articles constitute a good description of some current theoretical and experimental work on the electronic structure and spectroscopy of atoms, molecules, polymers, surfaces, metal oxides and amorphous solids.

Quantum Mechanics in Phase Space

Author : Cosmas Zachos
Publisher : World Scientific
ISBN 13 : 9812383840
Total Pages : 560 pages
Book Rating : 4.8/5 (123 download)

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Book Synopsis Quantum Mechanics in Phase Space by : Cosmas Zachos

Download or read book Quantum Mechanics in Phase Space written by Cosmas Zachos and published by World Scientific. This book was released on 2005 with total page 560 pages. Available in PDF, EPUB and Kindle. Book excerpt: Wigner's quasi-probability distribution function in phase space is a special (Weyl) representation of the density matrix. It has been useful in describing quantum transport in quantum optics; nuclear physics; decoherence, quantum computing, and quantum chaos. It is also important in signal processing and the mathematics of algebraic deformation. A remarkable aspect of its internal logic, pioneered by Groenewold and Moyal, has only emerged in the last quarter-century: it furnishes a third, alternative, formulation of quantum mechanics, independent of the conventional Hilbert space, or path integral formulations.In this logically complete and self-standing formulation, one need not choose sides ? coordinate or momentum space. It works in full phase space, accommodating the uncertainty principle, and it offers unique insights into the classical limit of quantum theory. This invaluable book is a collection of the seminal papers on the formulation, with an introductory overview which provides a trail map for those papers; an extensive bibliography; and simple illustrations, suitable for applications to a broad range of physics problems. It can provide supplementary material for a beginning graduate course in quantum mechanics.