The N-representability Problem and Some Related Atomic Calculations PDF Download
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Category :
Languages : en
Pages : 234
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Author:
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Category :
Languages : en
Pages : 234
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Author: Keith Dennis
Publisher:
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Category :
Languages : en
Pages : 0
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Author: B. M. Deb
Publisher: Van Nostrand Reinhold Company
ISBN:
Category : Science
Languages : en
Pages : 536
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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.
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Category : Dissertations, Academic
Languages : en
Pages : 656
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Author: Mary Beth Ruskai
Publisher:
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Category : Matrices
Languages : en
Pages : 326
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Author: University of London
Publisher:
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Category : Dissertations, Academic
Languages : en
Pages : 372
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Author: N.I. Gidopoulos
Publisher: Springer Science & Business Media
ISBN: 9401704090
Category : Science
Languages : en
Pages : 233
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This volume records the proceedings of a Forum on The Fundamentals of Electron Density, Density Matrix and Density Functional Theory in Atoms, Molecules and the Solid State held at the Coseners' House, Abingdon-on-Thames, Oxon. over the period 31st May - 2nd June, 2002. The forum consisted of 26 oral and poster presentations followed by a discussion structure around questions and comments submitted by the participants (and others who had expressed an interest) in advance of the meeting. Quantum mechanics provides a theoretical foundation for our under standing of the structure and properties of atoms, molecules and the solid state in terms their component particles, electrons and nuclei. (Rel ativistic quantum mechanics is required for molecular systems contain ing heavy atoms.) However, the solution of the equations of quantum mechanics yields a function, a wave function, which depends on the co ordinates, both space and spin, of all of the particles in the system. This functions contains much more information than is required to yield the energy or other property.
Author: Paul L. A. Popelier
Publisher: World Scientific
ISBN: 1848167245
Category : Science
Languages : en
Pages : 375
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Book Description
The Schrdinger equation is the master equation of quantum chemistry. The founders of quantum mechanics realised how this equation underpins essentially the whole of chemistry. However, they recognised that its exact application was much too complicated to be solvable at the time. More than two generations of researchers were left to work out how to achieve this ambitious goal for molecular systems of ever-increasing size. This book focuses on non-mainstream methods to solve the molecular electronic Schrdinger equation. Each method is based on a set of core ideas and this volume aims to explain these ideas clearly so that they become more accessible. By bringing together these non-standard methods, the book intends to inspire graduate students, postdoctoral researchers and academics to think of novel approaches. Is there a method out there that we have not thought of yet? Can we design a new method that combines the best of all worlds?
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Category : Nuclear energy
Languages : en
Pages : 988
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