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Density Matrix Theory and Applications

Density Matrix Theory and Applications
Author: Karl Blum
Publisher: Springer Science & Business Media
Total Pages: 217
Release: 2013-06-29
Genre: Science
ISBN: 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.


Reduced-Density-Matrix Mechanics

Reduced-Density-Matrix Mechanics
Author: David A. Mazziotti
Publisher: John Wiley & Sons
Total Pages: 300
Release: 2007-04-06
Genre: Science
ISBN: 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
Author: Leticia González
Publisher: John Wiley & Sons
Total Pages: 52
Release: 2021-02-01
Genre: Science
ISBN: 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.


Applications of Combinatorial Matrix Theory to Laplacian Matrices of Graphs

Applications of Combinatorial Matrix Theory to Laplacian Matrices of Graphs
Author: Jason J. Molitierno
Publisher: CRC Press
Total Pages: 425
Release: 2016-04-19
Genre: Computers
ISBN: 1439863393

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On the surface, matrix theory and graph theory seem like very different branches of mathematics. However, adjacency, Laplacian, and incidence matrices are commonly used to represent graphs, and many properties of matrices can give us useful information about the structure of graphs.Applications of Combinatorial Matrix Theory to Laplacian Matrices o


Introduction to Random Matrices

Introduction to Random Matrices
Author: Giacomo Livan
Publisher: Springer
Total Pages: 122
Release: 2018-01-16
Genre: Science
ISBN: 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.