Density Matrix Theory and Applications

Density Matrix Theory and Applications PDF

Author: Karl Blum

Publisher: Springer Science & Business Media

Published: 2013-06-29

Total Pages: 217

ISBN-13: 1461568080

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Quantum mechanics has been mostly concerned with those states of systems that are represented by state vectors. In many cases, however, the system of interest is incompletely determined; for example, it may have no more than a certain probability of being in the precisely defined dynamical state characterized by a state vector. Because of this incomplete knowledge, a need for statistical averaging arises in the same sense as in classical physics. The density matrix was introduced by J. von Neumann in 1927 to describe statistical concepts in quantum mechanics. The main virtue of the density matrix is its analytical power in the construction of general formulas and in the proof of general theorems. The evaluation of averages and probabilities of the physical quantities characterizing a given system is extremely cumbersome without the use of density matrix techniques. The representation of quantum mechanical states by density matrices enables the maximum information available on the system to be expressed in a compact manner and hence avoids the introduction of unnecessary vari ables. The use of density matrix methods also has the advantage of providing a uniform treatment of all quantum mechanical states, whether they are completely or incom~'\etely known. Until recently the use of the density matrix method has been mainly restricted to statistical physics. In recent years, however, the application of the density matrix has been gaining more and more importance in many other fields of physics.

Density Matrix Theory and Applications

Density Matrix Theory and Applications PDF

Author: Karl Blum

Publisher: Springer Science & Business Media

Published: 2013-06-29

Total Pages: 337

ISBN-13: 1475749317

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Quantum mechanics has been mostly concerned with those states of systems that are represented by state vectors. In many cases, however, the system of interest is incompletely determined; for example, it may have no more than a certain probability of being in the precisely defined dynamical state characterized by a state vector. Because of this incomplete knowledge, a need for statistical averaging arises in the same sense as in classical physics. The density matrix was introduced by J. von Neumann in 1927 to describe statistical concepts in quantum mechanics. The main virtue of the density matrix is its analytical power in the construction of general formulas and in the proof of general theorems. The evaluation of averages and probabilities of the physical quantities characterizing a given system is extremely cumbersome without the use of density matrix techniques. The representation of quantum mechanical states by density matrices enables the maximum information available on the system to be expressed in a compact manner and hence avoids the introduction of unnecessary variables. The use of density matrix methods also has the advan tage of providing a uniform treatment of all quantum mechanical states, whether they are completely or incompletely known. Until recently the use of the density matrix method has been mainly restricted to statistical physics. In recent years, however, the application of the density matrix has been gaining more and more importance in many other fields of physics.

Reduced-Density-Matrix Mechanics

Reduced-Density-Matrix Mechanics PDF

Author: David A. Mazziotti

Publisher: John Wiley & Sons

Published: 2007-04-06

Total Pages: 300

ISBN-13: 047010659X

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An up-to-date account of this cutting-edge research in a consistent and understandable framework, of special interest to experts in other areas of electronic structure and/or quantum many-body theory. It will serve equally well as a self-contained guide to learning about reduced density matrices either through self-study or in a classroom as well as an invaluable resource for understanding the critical advancements in the field.

Quantum Chemistry and Dynamics of Excited States

Quantum Chemistry and Dynamics of Excited States PDF

Author: Leticia González

Publisher: John Wiley & Sons

Published: 2021-02-01

Total Pages: 52

ISBN-13: 1119417759

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An introduction to the rapidly evolving methodology of electronic excited states 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. Readers will learn: ● Essential theoretical techniques to describe the properties and dynamics of chemical systems ● Electronic Structure methods for stationary calculations ● Methods for electronic excited states from both a quantum chemical and time-dependent point of view ● A breakdown of the most recent developments in the past 30 years For those searching for a better understanding of excited states as they relate to chemistry, biochemistry, industrial chemistry, and beyond, Quantum Chemistry and Dynamics of Excited States provides a solid education in the necessary foundations and important theories of excited states in photochemistry and ultrafast phenomena.

The Theory of Open Quantum Systems

The Theory of Open Quantum Systems PDF

Author: Heinz-Peter Breuer

Publisher: Oxford University Press, USA

Published: 2002

Total Pages: 648

ISBN-13: 9780198520634

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This book treats the central physical concepts and mathematical techniques used to investigate the dynamics of open quantum systems. To provide a self-contained presentation the text begins with a survey of classical probability theory and with an introduction into the foundations of quantum mechanics with particular emphasis on its statistical interpretation. The fundamentals of density matrix theory, quantum Markov processes and dynamical semigroups are developed. The most important master equations used in quantum optics and in the theory of quantum Brownian motion are applied to the study of many examples. Special attention is paid to the theory of environment induced decoherence, its role in the dynamical description of the measurement process and to the experimental observation of decohering Schrodinger cat states. The book includes the modern formulation of open quantum systems in terms of stochastic processes in Hilbert space. Stochastic wave function methods and Monte Carlo algorithms are designed and applied to important examples from quantum optics and atomic physics, such as Levy statistics in the laser cooling of atoms, and the damped Jaynes-Cummings model. The basic features of the non-Markovian quantum behaviour of open systems are examined on the basis of projection operator techniques. In addition, the book expounds the relativistic theory of quantum measurements and discusses several examples from a unified perspective, e.g. non-local measurements and quantum teleportation. Influence functional and super-operator techniques are employed to study the density matrix theory in quantum electrodynamics and applications to the destruction of quantum coherence are presented. The text addresses graduate students and lecturers in physics and applied mathematics, as well as researchers with interests in fundamental questions in quantum mechanics and its applications. Many analytical methods and computer simulation techniques are developed and illustrated with the help of numerous specific examples. Only a basic understanding of quantum mechanics and of elementary concepts of probability theory is assumed.

Density Functional Theory

Density Functional Theory PDF

Author: Reiner M. Dreizler

Publisher: Springer Science & Business Media

Published: 2012-12-06

Total Pages: 312

ISBN-13: 3642861059

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Density Functional Theory is a rapidly developing branch of many-particle physics that has found applications in atomic, molecular, solid-state and nuclear physics. This book describes the conceptual framework of density functional theory and discusses in detail the derivation of explicit functionals from first principles as well as their application to Coulomb systems. Both non-relativistic and relativistic systems are treated. The connection of density functional theory with other many-body methods is highlighted. The presentation is self-contained; the book is, thus, well suited for a graduate course on density functional theory.

Introduction to Random Matrices

Introduction to Random Matrices PDF

Author: Giacomo Livan

Publisher: Springer

Published: 2018-01-16

Total Pages: 124

ISBN-13: 3319708856

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Modern developments of Random Matrix Theory as well as pedagogical approaches to the standard core of the discipline are surprisingly hard to find in a well-organized, readable and user-friendly fashion. This slim and agile book, written in a pedagogical and hands-on style, without sacrificing formal rigor fills this gap. It brings Ph.D. students in Physics, as well as more senior practitioners, through the standard tools and results on random matrices, with an eye on most recent developments that are not usually covered in introductory texts. The focus is mainly on random matrices with real spectrum.The main guiding threads throughout the book are the Gaussian Ensembles. In particular, Wigner’s semicircle law is derived multiple times to illustrate several techniques (e.g., Coulomb gas approach, replica theory).Most chapters are accompanied by Matlab codes (stored in an online repository) to guide readers through the numerical check of most analytical results.

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