Many-Electron Densities and Reduced Density Matrices

Many-Electron Densities and Reduced Density Matrices
Author :
Publisher : Springer Science & Business Media
Total Pages : 311
Release :
ISBN-10 : 9781461542117
ISBN-13 : 1461542111
Rating : 4/5 (111 Downloads)

Book Synopsis Many-Electron Densities and Reduced Density Matrices by : Jerzy Cioslowski

Download or read book Many-Electron Densities and Reduced Density Matrices written by Jerzy Cioslowski and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 311 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.


Many-Electron Densities and Reduced Density Matrices Related Books

Many-Electron Densities and Reduced Density Matrices
Language: en
Pages: 311
Authors: Jerzy Cioslowski
Categories: Science
Type: BOOK - Published: 2012-12-06 - Publisher: Springer Science & Business Media

DOWNLOAD EBOOK

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
Reduced-Density-Matrix Mechanics
Language: en
Pages: 300
Authors: David A. Mazziotti
Categories: Science
Type: BOOK - Published: 2007-04-06 - Publisher: John Wiley & Sons

DOWNLOAD EBOOK

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 st
The Fundamentals of Electron Density, Density Matrix and Density Functional Theory in Atoms, Molecules and the Solid State
Language: en
Pages: 233
Authors: N.I. Gidopoulos
Categories: Science
Type: BOOK - Published: 2013-03-09 - Publisher: Springer Science & Business Media

DOWNLOAD EBOOK

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
Reduced Density Matrices
Language: en
Pages: 300
Authors: A.J. Coleman
Categories: Science
Type: BOOK - Published: 2000-04-14 - Publisher: Springer Science & Business Media

DOWNLOAD EBOOK

The authors demonstrate that the essential information about order in, and energy levels of physical systems is encapsulated in the second order reduced density
8th Congress on Electronic Structure: Principles and Applications (ESPA 2012)
Language: en
Pages: 228
Authors: Juan J. Novoa
Categories: Science
Type: BOOK - Published: 2013-10-16 - Publisher: Springer Science & Business Media

DOWNLOAD EBOOK

This volume collects research findings presented at the 8th Edition of the Electronic Structure: Principles and Applications (ESPA-2012) International Conferenc