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Author: Robert Erdahl
Publisher: Kingston, Ont. : Queen's University
ISBN:
Category : Chemistry, Physical and theoretical
Languages : en
Pages : 308
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Book Description
Author: Robert Erdahl
Publisher: Kingston, Ont. : Queen's University
ISBN:
Category : Chemistry, Physical and theoretical
Languages : en
Pages : 308
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Book Description
Author: Albert John Coleman
Publisher:
ISBN:
Category : Chemistry, Physical and theoretical
Languages : en
Pages : 260
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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: 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.
Author: Jerzy Cioslowski
Publisher: Springer Science & Business Media
ISBN: 1461542111
Category : Science
Languages : en
Pages : 311
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Book Description
Science advances by leaps and bounds rather than linearly in time. I t is not uncommon for a new concept or approach to generate a lot of initial interest, only to enter a quiet period of years or decades and then suddenly reemerge as the focus of new exciting investigations. This is certainly the case of the reduced density matrices (a k a N-matrices or RDMs), whose promise of a great simplification of quantum-chemical approaches faded away when the prospects of formulating the auxil iary yet essential N-representability conditions turned quite bleak. How ever, even during the period that followed this initial disappointment, the 2-matrices and their one-particle counterparts have been ubiquitous in the formalisms of modern electronic structure theory, entering the correlated-level expressions for the first-order response properties, giv ing rise to natural spinorbitals employed in the configuration interaction method and in rigorous analysis of electronic wavefunctions, and al lowing direct calculations of ionization potentials through the extended Koopmans'theorem. The recent research of Nakatsuji, Valdemoro, and Mazziotti her alds a renaissance of the concept of RDlvls that promotes them from the role of interpretive tools and auxiliary quantities to that of central variables of new electron correlation formalisms. Thanks to the economy of information offered by RDMs, these formalisms surpass the conven tional approaches in conciseness and elegance of formulation. As such, they hold the promise of opening an entirely new chapter of quantum chemistry.
Author: Heinz Siedentop
Publisher: World Scientific
ISBN: 9814460168
Category : Science
Languages : en
Pages : 303
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Book Description
This volume is based on lectures given during the program “Complex Quantum Systems” held at the National University of Singapore's Institute for Mathematical Sciences from 17 February to 27 March 2010. It guides the reader through two introductory expositions on large Coulomb systems to five of the most important developments in the field: derivation of mean field equations, derivation of effective Hamiltonians, alternative high precision methods in quantum chemistry, modern many-body methods originating from quantum information, and — the most complex — semirelativistic quantum electrodynamics.These introductions are written by leaders in their fields; amongst them are Volker Bach, Rafael Benguria, Thomas Chen, and Jan Philip Solovej. Together, they fill a gap between current textbooks and the vast modern literature on complex quantum systems.
Author: Erkki Brändas
Publisher: Springer Science & Business Media
ISBN: 9781402012907
Category : Science
Languages : en
Pages : 734
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Book Description
Per-Olov Löwdin's stature has been a symbol of the world of quantum theory during the past five decades, through his basic contributions to the development of the conceptual framework of Quantum Chemistry and introduction of the fundamental concepts; through a staggering number of regular summer schools, winter institutes, innumerable lectures at Uppsala, Gainesville and elsewhere, and Sanibel Symposia; by founding the International Journal of Quantum Chemistry and Advances in Quantum Chemistry; and through his vision of the possible and his optimism for the future, which has inspired generations of physicists, chemists, mathematicians, and biologists to devote their lives to molecular electronic theory and dynamics, solid state, and quantum biology. Fundamental World of Quantum Chemistry: Volumes I, II and III form a collection of papers dedicated to the memory of Per-Olov Löwdin. These volumes are of interest to a broad audience of quantum, theoretical, physical, biological, and computational chemists; atomic, molecular, and condensed matter physicists; biophysicists; mathematicians working in many-body theory; and historians and philosophers of natural science.
Author: Eugene S. Kryachko
Publisher: Springer Science & Business Media
ISBN: 9400919700
Category : Science
Languages : en
Pages : 862
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Book Description
Author: P.J. Grout
Publisher: Springer Science & Business Media
ISBN: 1402087071
Category : Science
Languages : en
Pages : 586
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Book Description
In this volume we have collected some of the contributions made to the Twelfth European Workshop on Quantum Systems in Chemistry and Physics (QSCP-XII) in 2007. The workshop was held at Royal Holloway College, the most westerly campusof the University of London,and situated just a stone’s throw from Windsor Great Park. The workshop, which ran from 30 August to 5 September, continued the series that was established by Roy McWeeny in April 1996 with a meeting held at San Miniato, near Pisa. The purpose of the QSCP workshops is to bring together, in an informal atmosphere and with the aim of fostering collaboration, those chemists and physicists who share a common ?eld of interest in the theory of the quantum many-body problem. Quantum mechanics provides a theoretical foundation for our understandingof the structure,propertiesanddynamicsof atoms, moleculesandthe solid state, in terms of their component particles: electrons and nuclei. The study of ‘Quantum Systems in Chemistry and Physics’ therefore underpins many of the emerging?elds in twenty-?rstcenturyscience andtechnology:nanostructure,smart materials, drug design – to name but a few. Members of the workshop were keen to discuss their research and engage in collaboration centred upon the development of fundamental and innovative theory which would lead to the exploration of new concepts. The proceedings of all of the workshops, which have been held annually since 1996, have been published both to disseminate the latest developments within the wider community and to stimulate further collaboration.
Author: R.M. Erdahl
Publisher: Springer Science & Business Media
ISBN: 9400938551
Category : Science
Languages : en
Pages : 718
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Book Description
THE COLEMAN SYMPOSIUM This collection of papers is dedicated to Albert John Coleman for his enthusiastic devotion to teaching and research and his many scientific accomplishments. John was born in Toronto on May 20, 1918 and 21 years later graduated from the University of Toronto in mathematics. Along the way he teamed up with Irving Kaplansky and Nathan Mendelson to win the first William Lowell Putnam Mathematical Competition in 1938. He earned his M.A. at Princeton in 1942 and then his Ph.D. at Toronto in 1943 in relativistic quantum mechanics under the direction of Leopold Infeld. During this period he was secretary of the Student Christian Movement in Toronto. Later, in 1945, he became traveling secretary of the World's Student Christian Federation in Geneva and in this capacity visited some 100 universities in 20 countries in the next four years. He spent the 50's as a member of the faculty at the University of Toronto and for 20 years, starting in 1960, he served as Dupuis Professor of Mathematics and Head of the Department at Queen's University. Since 1983 he has been Professor Emeritus at Queen's.
