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Reduced-Density-Matrix Mechanics

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Release : 2007-04-06
Genre : Science
Kind : eBook
Book Rating : 59X/5 ( reviews)

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Book Synopsis Reduced-Density-Matrix Mechanics by : David A. Mazziotti

Download or read book Reduced-Density-Matrix Mechanics written by David A. Mazziotti. This book was released on 2007-04-06. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Reduced Density Matrices in Quantum Chemistry

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Release : 2012-12-02
Genre : Science
Kind : eBook
Book Rating : 022/5 ( reviews)

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Book Synopsis Reduced Density Matrices in Quantum Chemistry by : Ernest Davidson

Download or read book Reduced Density Matrices in Quantum Chemistry written by Ernest Davidson. This book was released on 2012-12-02. Available in PDF, EPUB and Kindle. Book excerpt: Reduced Density Matrices in Quantum Chemistry is from a special topics course of the author to graduate students at the Ohio State University. The focus of the book is on the structure of the density matrix as reference to the electronic structure of atoms and molecules. Chapters 1 and 2 discuss and differentiate in detail the ensemble density matrix and reduced density matrices. Ensemble density matrix is discussed in the context of different states, while the energy expressions of reduced density matrices are highlighted together with some examples. Chapter 3 accordingly follows through with a description of the properties of reduced density matrices. The succeeding chapters focus on the first-order and second-order reduced density matrices in terms of their analytic and physical properties. The final chapter discusses and interprets the two-body density matrix. The book is intended for graduate students and researchers in the study of quantum chemistry.

Density Matrix Theory and Applications

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Release : 2013-06-29
Genre : Science
Kind : eBook
Book Rating : 080/5 ( reviews)

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Book Synopsis Density Matrix Theory and Applications by : Karl Blum

Download or read book Density Matrix Theory and Applications written by Karl Blum. This book was released on 2013-06-29. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Applications of Reduced Density Matrix Mechanics to Strongly Correlated Systems and Quantum Tomography

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Release : 2012
Genre :
Kind : eBook
Book Rating : 525/5 ( reviews)

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Book Synopsis Applications of Reduced Density Matrix Mechanics to Strongly Correlated Systems and Quantum Tomography by : Jonathan Joseph Foley (IV.)

Download or read book Applications of Reduced Density Matrix Mechanics to Strongly Correlated Systems and Quantum Tomography written by Jonathan Joseph Foley (IV.). This book was released on 2012. Available in PDF, EPUB and Kindle. Book excerpt: The work in this dissertation approaches quantum chemical systems from two complementary perspectives: (1) calculation of the quantum state from first principles and (2) reconstruction of quantum states from experimental data. Reduced Density Matrix (RDM) mechanics provides a unifying framework for these two approaches.

Density Matrices and Density Functionals

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Release : 2012-12-06
Genre : Science
Kind : eBook
Book Rating : 551/5 ( reviews)

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Book Synopsis Density Matrices and Density Functionals by : R.M. Erdahl

Download or read book Density Matrices and Density Functionals written by R.M. Erdahl. This book was released on 2012-12-06. Available in PDF, EPUB and Kindle. Book excerpt: THE COLEMAN SYMPOSIUM This collection of papers is dedicated to Albert John Coleman for his enthusiastic devotion to teaching and research and his many scientific accomplishments. John was born in Toronto on May 20, 1918 and 21 years later graduated from the University of Toronto in mathematics. Along the way he teamed up with Irving Kaplansky and Nathan Mendelson to win the first William Lowell Putnam Mathematical Competition in 1938. He earned his M.A. at Princeton in 1942 and then his Ph.D. at Toronto in 1943 in relativistic quantum mechanics under the direction of Leopold Infeld. During this period he was secretary of the Student Christian Movement in Toronto. Later, in 1945, he became traveling secretary of the World's Student Christian Federation in Geneva and in this capacity visited some 100 universities in 20 countries in the next four years. He spent the 50's as a member of the faculty at the University of Toronto and for 20 years, starting in 1960, he served as Dupuis Professor of Mathematics and Head of the Department at Queen's University. Since 1983 he has been Professor Emeritus at Queen's.

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