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Reduced Density Matrices in Quantum Chemistry

Download or Read eBook Reduced Density Matrices in Quantum Chemistry PDF written by Ernest Davidson and published by Elsevier. This book was released on 2012-12-02 with total page 144 pages. Available in PDF, EPUB and Kindle.
Reduced Density Matrices in Quantum Chemistry
Author :
Publisher : Elsevier
Total Pages : 144
Release :
ISBN-10 : 9780323161022
ISBN-13 : 0323161022
Rating : 4/5 (22 Downloads)

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

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.


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