ماتریس‌های چگالی کاهش‌یافته در شیمی کوانتومی (شیمی نظری؛ مجموعه‌ای از مونوگراف‌ها؛ جلد ۶)

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. Content: Theoretical Chemistry Page ii Front Matter Page iii Copyright page Page iv Preface Page vii Acknowledgments Page viii 1 - Ensemble Density Matrix Pages 1-7 2 - Reduced Density Matrices Pages 8-19 3 - Properties of Reduced Density Matrices Pages 20-30 4 - Analytic Properties of the First-Order Reduced Density Matrix Pages 31-56 5 - Physical Properties of the First-Order Reduced Density Matrix Pages 57-96 6 - Analytic Properties of the Second-Order Reduced Density Matrix Pages 97-114 7 - Physical Interpretation of the Two-Body Density Matrix Pages 115-122 References Pages 123-131 Index Pages 133-135 Ernest Roy Davidson. Includes Bibliographical References (p. 123-131) And Index.