Explicitly Correlated Wave Functions in Chemistry and Physics: Theory and Applications
Explicitly Correlated Wave Functions in Chemistry and Physics is the first book devoted entirely to explicitly correlated wave functions and their theory and applications in chemistry and molecular and atomic physics. Explicitly correlated wave functions are functions that depend explicitly on inter...
Gespeichert in:
| Weitere Verfasser: | |
|---|---|
| Format: | Elektronisch E-Book |
| Sprache: | English |
| Veröffentlicht: |
Dordrecht
Springer Netherlands
2003
|
| Schriftenreihe: | Progress in Theoretical Chemistry and Physics
13 |
| Schlagworte: | |
| Online-Zugang: | UBT01 Volltext |
| Zusammenfassung: | Explicitly Correlated Wave Functions in Chemistry and Physics is the first book devoted entirely to explicitly correlated wave functions and their theory and applications in chemistry and molecular and atomic physics. Explicitly correlated wave functions are functions that depend explicitly on interelectronic distance. The book covers a wide range of methods based on explicitly correlated functions written by leaders in the field, including Kutzelnigg, Jeziorski, Szalewicz, Klopper and Noga. The book begins with a chapter on the theory of electron correlation and then the following three chapters describe different types of functions that can be used to solve the electronic Schrödinger equation for atoms and molecules. The book goes on to discuss the effects that go beyond the Born-Oppenheimer approximation, theory of relativistic effects, solution of the Dirac-Colomb equation, and relativistic correction using ECG functions. The last part of the book reviews applications of EC functions to calculate atomic and molecular properties and to study positronic systems, resonance states of atoms and nuclear dynamics of the hydrogen molecular ion |
| Beschreibung: | 1 Online-Ressource (XXI, 557 p. 56 illus) |
| ISBN: | 9789401703130 |
| DOI: | 10.1007/978-94-017-0313-0 |
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| 520 | |a Explicitly Correlated Wave Functions in Chemistry and Physics is the first book devoted entirely to explicitly correlated wave functions and their theory and applications in chemistry and molecular and atomic physics. Explicitly correlated wave functions are functions that depend explicitly on interelectronic distance. The book covers a wide range of methods based on explicitly correlated functions written by leaders in the field, including Kutzelnigg, Jeziorski, Szalewicz, Klopper and Noga. The book begins with a chapter on the theory of electron correlation and then the following three chapters describe different types of functions that can be used to solve the electronic Schrödinger equation for atoms and molecules. The book goes on to discuss the effects that go beyond the Born-Oppenheimer approximation, theory of relativistic effects, solution of the Dirac-Colomb equation, and relativistic correction using ECG functions. The last part of the book reviews applications of EC functions to calculate atomic and molecular properties and to study positronic systems, resonance states of atoms and nuclear dynamics of the hydrogen molecular ion | ||
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| discipline | Chemie / Pharmazie |
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| isbn | 9789401703130 |
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| spelling | Explicitly Correlated Wave Functions in Chemistry and Physics Theory and Applications edited by Jacek Rychlewski Dordrecht Springer Netherlands 2003 1 Online-Ressource (XXI, 557 p. 56 illus) txt rdacontent c rdamedia cr rdacarrier Progress in Theoretical Chemistry and Physics 13 Explicitly Correlated Wave Functions in Chemistry and Physics is the first book devoted entirely to explicitly correlated wave functions and their theory and applications in chemistry and molecular and atomic physics. Explicitly correlated wave functions are functions that depend explicitly on interelectronic distance. The book covers a wide range of methods based on explicitly correlated functions written by leaders in the field, including Kutzelnigg, Jeziorski, Szalewicz, Klopper and Noga. The book begins with a chapter on the theory of electron correlation and then the following three chapters describe different types of functions that can be used to solve the electronic Schrödinger equation for atoms and molecules. The book goes on to discuss the effects that go beyond the Born-Oppenheimer approximation, theory of relativistic effects, solution of the Dirac-Colomb equation, and relativistic correction using ECG functions. The last part of the book reviews applications of EC functions to calculate atomic and molecular properties and to study positronic systems, resonance states of atoms and nuclear dynamics of the hydrogen molecular ion Chemistry Physical Chemistry Theoretical and Computational Chemistry Atomic, Molecular, Optical and Plasma Physics Quantum Physics Physical chemistry Chemistry, Physical and theoretical Quantum physics Atoms Physics Quantenchemie (DE-588)4047979-1 gnd rswk-swf Wellenfunktion (DE-588)4189547-2 gnd rswk-swf Quantenchemie (DE-588)4047979-1 s Wellenfunktion (DE-588)4189547-2 s 1\p DE-604 Rychlewski, Jacek 1947-2003 (DE-588)1222528428 edt Erscheint auch als Druck-Ausgabe 9789048164486 https://doi.org/10.1007/978-94-017-0313-0 Verlag URL des Erstveröffentlichers Volltext 1\p cgwrk 20201028 DE-101 https://d-nb.info/provenance/plan#cgwrk |
| spellingShingle | Explicitly Correlated Wave Functions in Chemistry and Physics Theory and Applications Chemistry Physical Chemistry Theoretical and Computational Chemistry Atomic, Molecular, Optical and Plasma Physics Quantum Physics Physical chemistry Chemistry, Physical and theoretical Quantum physics Atoms Physics Quantenchemie (DE-588)4047979-1 gnd Wellenfunktion (DE-588)4189547-2 gnd |
| subject_GND | (DE-588)4047979-1 (DE-588)4189547-2 |
| title | Explicitly Correlated Wave Functions in Chemistry and Physics Theory and Applications |
| title_auth | Explicitly Correlated Wave Functions in Chemistry and Physics Theory and Applications |
| title_exact_search | Explicitly Correlated Wave Functions in Chemistry and Physics Theory and Applications |
| title_full | Explicitly Correlated Wave Functions in Chemistry and Physics Theory and Applications edited by Jacek Rychlewski |
| title_fullStr | Explicitly Correlated Wave Functions in Chemistry and Physics Theory and Applications edited by Jacek Rychlewski |
| title_full_unstemmed | Explicitly Correlated Wave Functions in Chemistry and Physics Theory and Applications edited by Jacek Rychlewski |
| title_short | Explicitly Correlated Wave Functions in Chemistry and Physics |
| title_sort | explicitly correlated wave functions in chemistry and physics theory and applications |
| title_sub | Theory and Applications |
| topic | Chemistry Physical Chemistry Theoretical and Computational Chemistry Atomic, Molecular, Optical and Plasma Physics Quantum Physics Physical chemistry Chemistry, Physical and theoretical Quantum physics Atoms Physics Quantenchemie (DE-588)4047979-1 gnd Wellenfunktion (DE-588)4189547-2 gnd |
| topic_facet | Chemistry Physical Chemistry Theoretical and Computational Chemistry Atomic, Molecular, Optical and Plasma Physics Quantum Physics Physical chemistry Chemistry, Physical and theoretical Quantum physics Atoms Physics Quantenchemie Wellenfunktion |
| url | https://doi.org/10.1007/978-94-017-0313-0 |
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