Computational Techniques in Quantum Chemistry and Molecular Physics: Proceedings of the NATO Advanced Study Institute held at Ramsau, Germany, 4–21 September, 1974
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| Weitere Verfasser: | , , |
|---|---|
| Format: | Elektronisch E-Book |
| Sprache: | English |
| Veröffentlicht: |
Dordrecht
Springer Netherlands
1975
|
| Schriftenreihe: | NATO Advanced Study Institutes Series, Series C — Mathematical and Physical Sciences
15 |
| Schlagworte: | |
| Online-Zugang: | Volltext |
| Beschreibung: | This book contains the transcripts of the lectures presented at the NATO Advanced study Institute on "Computational Techniques in Quantum Chemistry and Molecular Physics", held at Ramsau, Germany, 4th - 21st Sept. 1974. Quantum theory was developed in the early decades of this century and was first applied to problems in chemistry and molecular physics as early as 1927. It soon emerged however, that it was impossible to consider any but the simplest systems in any quantitative detail because of the complexity of Schrodinger's equation which is the basic equation for chemical and molecular physics applications. This remained the situation until the development, after 1950, of electronic digital computers. It then became possible to attempt approximate solutions of Schrodinger's equation for fairly complicated systems, to yield results which were sufficiently accurate to make comparison with experiment meaningful. Starting in the early nineteen sixties in the United States at a few centres with access to good computers an enormous amount of work went into the development and implementation of schemes for approximate solutions of Schrodinger's equation, particularly the development of the Hartree-Fock self-consistent-field scheme. But it was soon found that the integrals needed for application of the methods to molecular problems are far from trivial to evaluate and cannot be easily approximated |
| Beschreibung: | 1 Online-Ressource (VIII, 568 p) |
| ISBN: | 9789401018159 9789401018173 |
| ISSN: | 1389-2185 |
| DOI: | 10.1007/978-94-010-1815-9 |
Internformat
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| 245 | 1 | 0 | |a Computational Techniques in Quantum Chemistry and Molecular Physics |b Proceedings of the NATO Advanced Study Institute held at Ramsau, Germany, 4–21 September, 1974 |c edited by G. H. F. Diercksen, B. T. Sutcliffe, A. Veillard |
| 246 | 1 | 3 | |a Proceedings of the NATO Advanced Study Institute, Ramsan, Germany, September 4-21, 1974 |
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| 500 | |a This book contains the transcripts of the lectures presented at the NATO Advanced study Institute on "Computational Techniques in Quantum Chemistry and Molecular Physics", held at Ramsau, Germany, 4th - 21st Sept. 1974. Quantum theory was developed in the early decades of this century and was first applied to problems in chemistry and molecular physics as early as 1927. It soon emerged however, that it was impossible to consider any but the simplest systems in any quantitative detail because of the complexity of Schrodinger's equation which is the basic equation for chemical and molecular physics applications. This remained the situation until the development, after 1950, of electronic digital computers. It then became possible to attempt approximate solutions of Schrodinger's equation for fairly complicated systems, to yield results which were sufficiently accurate to make comparison with experiment meaningful. Starting in the early nineteen sixties in the United States at a few centres with access to good computers an enormous amount of work went into the development and implementation of schemes for approximate solutions of Schrodinger's equation, particularly the development of the Hartree-Fock self-consistent-field scheme. But it was soon found that the integrals needed for application of the methods to molecular problems are far from trivial to evaluate and cannot be easily approximated | ||
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| discipline | Physik Mathematik |
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| id | DE-604.BV042415573 |
| illustrated | Not Illustrated |
| indexdate | 2024-07-10T01:20:57Z |
| institution | BVB |
| isbn | 9789401018159 9789401018173 |
| issn | 1389-2185 |
| language | English |
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| physical | 1 Online-Ressource (VIII, 568 p) |
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| series | NATO Advanced Study Institutes Series, Series C — Mathematical and Physical Sciences |
| series2 | NATO Advanced Study Institutes Series, Series C — Mathematical and Physical Sciences |
| spelling | Computational Techniques in Quantum Chemistry and Molecular Physics Proceedings of the NATO Advanced Study Institute held at Ramsau, Germany, 4–21 September, 1974 edited by G. H. F. Diercksen, B. T. Sutcliffe, A. Veillard Proceedings of the NATO Advanced Study Institute, Ramsan, Germany, September 4-21, 1974 Dordrecht Springer Netherlands 1975 1 Online-Ressource (VIII, 568 p) txt rdacontent c rdamedia cr rdacarrier NATO Advanced Study Institutes Series, Series C — Mathematical and Physical Sciences 15 1389-2185 This book contains the transcripts of the lectures presented at the NATO Advanced study Institute on "Computational Techniques in Quantum Chemistry and Molecular Physics", held at Ramsau, Germany, 4th - 21st Sept. 1974. Quantum theory was developed in the early decades of this century and was first applied to problems in chemistry and molecular physics as early as 1927. It soon emerged however, that it was impossible to consider any but the simplest systems in any quantitative detail because of the complexity of Schrodinger's equation which is the basic equation for chemical and molecular physics applications. This remained the situation until the development, after 1950, of electronic digital computers. It then became possible to attempt approximate solutions of Schrodinger's equation for fairly complicated systems, to yield results which were sufficiently accurate to make comparison with experiment meaningful. Starting in the early nineteen sixties in the United States at a few centres with access to good computers an enormous amount of work went into the development and implementation of schemes for approximate solutions of Schrodinger's equation, particularly the development of the Hartree-Fock self-consistent-field scheme. But it was soon found that the integrals needed for application of the methods to molecular problems are far from trivial to evaluate and cannot be easily approximated Computer science Electronic data processing Computer Science Numeric Computing Theoretical, Mathematical and Computational Physics Datenverarbeitung Informatik Diercksen, G. H. F. edt Sutcliffe, B. T. edt Veillard, A. edt NATO Advanced Study Institutes Series, Series C — Mathematical and Physical Sciences 15 (DE-604)BV000003915 15 https://doi.org/10.1007/978-94-010-1815-9 Verlag Volltext |
| spellingShingle | Computational Techniques in Quantum Chemistry and Molecular Physics Proceedings of the NATO Advanced Study Institute held at Ramsau, Germany, 4–21 September, 1974 NATO Advanced Study Institutes Series, Series C — Mathematical and Physical Sciences Computer science Electronic data processing Computer Science Numeric Computing Theoretical, Mathematical and Computational Physics Datenverarbeitung Informatik |
| title | Computational Techniques in Quantum Chemistry and Molecular Physics Proceedings of the NATO Advanced Study Institute held at Ramsau, Germany, 4–21 September, 1974 |
| title_alt | Proceedings of the NATO Advanced Study Institute, Ramsan, Germany, September 4-21, 1974 |
| title_auth | Computational Techniques in Quantum Chemistry and Molecular Physics Proceedings of the NATO Advanced Study Institute held at Ramsau, Germany, 4–21 September, 1974 |
| title_exact_search | Computational Techniques in Quantum Chemistry and Molecular Physics Proceedings of the NATO Advanced Study Institute held at Ramsau, Germany, 4–21 September, 1974 |
| title_full | Computational Techniques in Quantum Chemistry and Molecular Physics Proceedings of the NATO Advanced Study Institute held at Ramsau, Germany, 4–21 September, 1974 edited by G. H. F. Diercksen, B. T. Sutcliffe, A. Veillard |
| title_fullStr | Computational Techniques in Quantum Chemistry and Molecular Physics Proceedings of the NATO Advanced Study Institute held at Ramsau, Germany, 4–21 September, 1974 edited by G. H. F. Diercksen, B. T. Sutcliffe, A. Veillard |
| title_full_unstemmed | Computational Techniques in Quantum Chemistry and Molecular Physics Proceedings of the NATO Advanced Study Institute held at Ramsau, Germany, 4–21 September, 1974 edited by G. H. F. Diercksen, B. T. Sutcliffe, A. Veillard |
| title_short | Computational Techniques in Quantum Chemistry and Molecular Physics |
| title_sort | computational techniques in quantum chemistry and molecular physics proceedings of the nato advanced study institute held at ramsau germany 4 21 september 1974 |
| title_sub | Proceedings of the NATO Advanced Study Institute held at Ramsau, Germany, 4–21 September, 1974 |
| topic | Computer science Electronic data processing Computer Science Numeric Computing Theoretical, Mathematical and Computational Physics Datenverarbeitung Informatik |
| topic_facet | Computer science Electronic data processing Computer Science Numeric Computing Theoretical, Mathematical and Computational Physics Datenverarbeitung Informatik |
| url | https://doi.org/10.1007/978-94-010-1815-9 |
| volume_link | (DE-604)BV000003915 |
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