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Bücher Englische Bücher Wissen & Bildung Naturwissenschaft, Medizin, Informatik, Technik Chemie Physikalische Chemie Many-Electron Densities and Reduced Density Matrices
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Many-Electron Densities and Reduced Density Matrices
(Gebundene Ausgabe, Englisch)
Optischer Zustand
Beschreibung
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. Dieses Produkt haben wir gerade leider nicht auf Lager.
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Technische Daten
Erscheinungsdatum
30.09.2000
Sprache
Englisch
EAN
9780306464546
Herausgeber
Springer US
Serien- oder Bandtitel
Mathematical and Computational Chemistry
Sonderedition
Nein
Seitenanzahl
301
Auflage
2000
Einbandart
Gebundene Ausgabe
Schlagwörter
Atom, Schrödinger equation, chemical physics, density, density functional theory, development, electron, illustration, physics, simulation, structure, topology
Thema-Inhalt
PNR - Physikalische Chemie
Höhe
254 mm
Breite
17.8 cm
Transparenz & Sicherheit
Hersteller: Springer New York, Europaplatz 3, Heidelberg, Deutschland, 69115, ProductSafety@springernature.com, Springer Nature Customer Service Center GmbH
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