When initially introduced, the reduced density matrices (RDMs) held the promise of greatly simplifying electronic structure calculations. Although these expectations were not met immediately, recent work has placed RDMs at the center of new approaches to the electron correlation problem. Many-Electron Densities and Reduced Density Matrices presents these exciting new developments that underscore both the relevance and practical applications of RDMs. This volume, put together by leading experts in the field, covers topics ranging from fundamental theorems describing mathematical structures of many-electron densities and reduced density matrices to new electronic structure methods that open an avenue to highly accurate atomic and molecular simulations. Many-Electron Densities and Reduced Density Matrices will be useful primarily to quantum and theoretical chemists, and solid state theorists, but also to physical, mathematical, and computational chemists. In addition to being a valuable resource for researchers, Many-Electron Densities and Reduced Density Matrices will find a place as a textbook in special topic courses at the advanced graduate level.
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First Sentence:
The development of quantum mechanics (QM) and the evolution of its treatment of the N-electron problem in atoms, molecules and solids surely constitutes one of the most remarkable and exciting sagas in human thought. Read the first page Key Phrases - Statistically Improbable Phrases (SIPs): (learn more)
correlation cage, extracule densities, intracule densities, natural occupation numbers, attractor interaction lines, intracule density, representable region, natural orbital functional theory, natural orbital functionals, extracule density, cumulant theory, bottom eigenvalue, representability conditions, dispersion operator, united atom limit, unique preimage, reduced density matrices, cage point, natural orbitals, uniform electron gas, correlation representation, interelectronic distance, representability problem, isoelectronic species, lower bound method Key Phrases - Capitalized Phrases (CAPs): (learn more)
New York, Kluwer Academic, Plenum Publishers, N-particle Hamiltonian, Queen's University, Optimization Theorem, Coleman Symposium, Oxford University Press, Pérez del Valle, Queen's Papers, Reduced Density Operators, Academic Press, Dispersion Theorem, Gumma Univ, Lecture Notes, World Scientific New!
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Front Cover | Table of Contents | First Pages | Index | Back Cover | Surprise Me!
The development of quantum mechanics (QM) and the evolution of its treatment of the N-electron problem in atoms, molecules and solids surely constitutes one of the most remarkable and exciting sagas in human thought. Read the first page Key Phrases - Statistically Improbable Phrases (SIPs): (learn more)
correlation cage, extracule densities, intracule densities, natural occupation numbers, attractor interaction lines, intracule density, representable region, natural orbital functional theory, natural orbital functionals, extracule density, cumulant theory, bottom eigenvalue, representability conditions, dispersion operator, united atom limit, unique preimage, reduced density matrices, cage point, natural orbitals, uniform electron gas, correlation representation, interelectronic distance, representability problem, isoelectronic species, lower bound method Key Phrases - Capitalized Phrases (CAPs): (learn more)
New York, Kluwer Academic, Plenum Publishers, N-particle Hamiltonian, Queen's University, Optimization Theorem, Coleman Symposium, Oxford University Press, Pérez del Valle, Queen's Papers, Reduced Density Operators, Academic Press, Dispersion Theorem, Gumma Univ, Lecture Notes, World Scientific New!
Books on Related Topics | Concordance | Text Stats Browse Sample Pages:
Front Cover | Table of Contents | First Pages | Index | Back Cover | Surprise Me!
Citations (learn more)
This book cites 37
books:
See all 37 books this book cites
4
books
cite this book:
- Density Matrices and Density Functionals (Proceedings of the a. John Coleman Symposium) by R.M. Erdahl on 14 pages
- Density Functional Theory: An Approach to the Quantum Many-Body Problem by Reiner M. Dreizler on 7 pages
- Density-Functional Theory of Atoms and Molecules (International Series of Monographs on Chemistry) by Robert G. Parr on 4 pages
- Electronic Density Functional Theory: Recent Progress and New Directions by John F. Dobson on page 207, and page 208
- Recent Advances in Density Functional Methods (Recent Advances in Computational Chemistry Vol.1, Part II) by Delano P. Chong on page 179, and Back Matter
See all 37 books this book cites
- The Fundamentals of Electron Density, Density Matrix and Density Functional Theory in Atoms, Molecules and the Solid State (Progress in Theoretical Chemistry and Physics) by N.I. Gidopoulos on 4 pages
- Electron Correlations and Materials Properties 2 (v. 2) by A. Gonis on page 321, and page 387
- Metal-Ligand Interactions Molecular-, Nano-, Micro-systems in Complex Environments (NATO Science Series II: Mathematics, Physics and Chemistry) by N. Russo on page 237
- Scientific and Engineering Computations for the 21st Century - Methodologies and Applications: Proceedings of the 15th Toyota Conference by M. Mori on page 117
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