Many-Electron Densities and Reduced Density Matrices:
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 c...
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| Format: | Elektronisch E-Book |
| Sprache: | English |
| Veröffentlicht: |
Boston, MA
Springer US
2000
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| Schriftenreihe: | Mathematical and Computational Chemistry
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| Schlagworte: | |
| Online-Zugang: | UBT01 Volltext |
| Zusammenfassung: | 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 |
| Beschreibung: | 1 Online-Ressource (XIV, 301 p) |
| ISBN: | 9781461542117 |
| DOI: | 10.1007/978-1-4615-4211-7 |
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| spelling | Many-Electron Densities and Reduced Density Matrices edited by Jerzy Cioslowski Boston, MA Springer US 2000 1 Online-Ressource (XIV, 301 p) txt rdacontent c rdamedia cr rdacarrier Mathematical and Computational Chemistry 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 Chemistry Physical Chemistry Physical chemistry Dichtematrix (DE-588)4149624-3 gnd rswk-swf Vielelektronenproblem (DE-588)4188249-0 gnd rswk-swf 1\p (DE-588)4143413-4 Aufsatzsammlung gnd-content Vielelektronenproblem (DE-588)4188249-0 s Dichtematrix (DE-588)4149624-3 s 2\p DE-604 Cioslowski, Jerzy edt Erscheint auch als Druck-Ausgabe 9781461368908 https://doi.org/10.1007/978-1-4615-4211-7 Verlag URL des Erstveröffentlichers Volltext 1\p cgwrk 20201028 DE-101 https://d-nb.info/provenance/plan#cgwrk 2\p cgwrk 20201028 DE-101 https://d-nb.info/provenance/plan#cgwrk |
| spellingShingle | Many-Electron Densities and Reduced Density Matrices Chemistry Physical Chemistry Physical chemistry Dichtematrix (DE-588)4149624-3 gnd Vielelektronenproblem (DE-588)4188249-0 gnd |
| subject_GND | (DE-588)4149624-3 (DE-588)4188249-0 (DE-588)4143413-4 |
| title | Many-Electron Densities and Reduced Density Matrices |
| title_auth | Many-Electron Densities and Reduced Density Matrices |
| title_exact_search | Many-Electron Densities and Reduced Density Matrices |
| title_full | Many-Electron Densities and Reduced Density Matrices edited by Jerzy Cioslowski |
| title_fullStr | Many-Electron Densities and Reduced Density Matrices edited by Jerzy Cioslowski |
| title_full_unstemmed | Many-Electron Densities and Reduced Density Matrices edited by Jerzy Cioslowski |
| title_short | Many-Electron Densities and Reduced Density Matrices |
| title_sort | many electron densities and reduced density matrices |
| topic | Chemistry Physical Chemistry Physical chemistry Dichtematrix (DE-588)4149624-3 gnd Vielelektronenproblem (DE-588)4188249-0 gnd |
| topic_facet | Chemistry Physical Chemistry Physical chemistry Dichtematrix Vielelektronenproblem Aufsatzsammlung |
| url | https://doi.org/10.1007/978-1-4615-4211-7 |
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