Reduced Density Operators with Applications to Physical and Chemical Systems PDF Download
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Author: R. M. Erdahl
Publisher:
ISBN:
Category :
Languages : en
Pages :
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Author: R. M. Erdahl
Publisher:
ISBN:
Category :
Languages : en
Pages :
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Book Description
Author: David A. Mazziotti
Publisher: John Wiley & Sons
ISBN: 047010659X
Category : Science
Languages : en
Pages : 300
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Book Description
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.
Author: Robert Erdahl
Publisher:
ISBN:
Category : Chemistry, Physical and theoretical
Languages : en
Pages : 268
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Author:
Publisher:
ISBN:
Category :
Languages : en
Pages :
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Author: Karl Blum
Publisher: Springer Science & Business Media
ISBN: 1461568080
Category : Science
Languages : en
Pages : 217
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Book Description
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.
Author: Robert Erdahl
Publisher: Kingston, Ont. : Queen's University
ISBN:
Category : Chemistry, Physical and theoretical
Languages : en
Pages : 308
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Author:
Publisher:
ISBN:
Category :
Languages : en
Pages : 236
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Author: Conseil national de recherches du Canada
Publisher:
ISBN:
Category :
Languages : en
Pages : 235
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Author: R. M. Erdahl
Publisher:
ISBN:
Category :
Languages : en
Pages :
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Author: Ernest Davidson
Publisher: Elsevier
ISBN: 0323161022
Category : Science
Languages : en
Pages : 144
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Book Description
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.
