Reduced density matrices in quantum chemistry (Theoretical chemistry; a series of monographs ; v. 6) illustrated edition
by Ernest R Davidson(Author)
Publisher finelybook 出版社: Academic Press; illustrated edition (January 1, 1976)
Language 语言: English
Print Length 页数: 135 pages
ISBN-10: 012205850X
ISBN-13: 9780122058509
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.
