Recent advances in density functional methods, Part II:
Gespeichert in:
| Format: | Elektronisch E-Book |
|---|---|
| Sprache: | English |
| Veröffentlicht: |
Singapore
World Scientific
©1997
|
| Schriftenreihe: | Recent advances in computational chemistry
vol. 1 |
| Schlagworte: | |
| Online-Zugang: | FAW01 FAW02 Volltext |
| Beschreibung: | Includes bibliographical references and index Of all the different areas in computational chemistry, density functional theory (DFT) enjoys the most rapid development. Even at the level of the local density approximation (LDA), which is computationally less demanding, DFT can usually provide better answers than Hartree-Fock formalism for large systems such as clusters and solids. For atoms and molecules, the results from DFT often rival those obtained by ab initio quantum chemistry, partly because larger basis sets can be used. Such encouraging results have in turn stimulated workers to further investigate the formal theory as well as the |
| Beschreibung: | 1 Online-Ressource |
| ISBN: | 9789812819468 9812819460 |
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| isbn | 9789812819468 9812819460 |
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| series2 | Recent advances in computational chemistry |
| spelling | Recent advances in density functional methods, Part II edited by Delano P. Chong Singapore World Scientific ©1997 1 Online-Ressource txt rdacontent c rdamedia cr rdacarrier Recent advances in computational chemistry vol. 1 Includes bibliographical references and index Of all the different areas in computational chemistry, density functional theory (DFT) enjoys the most rapid development. Even at the level of the local density approximation (LDA), which is computationally less demanding, DFT can usually provide better answers than Hartree-Fock formalism for large systems such as clusters and solids. For atoms and molecules, the results from DFT often rival those obtained by ab initio quantum chemistry, partly because larger basis sets can be used. Such encouraging results have in turn stimulated workers to further investigate the formal theory as well as the SCIENCE / Chemistry / Physical & Theoretical bisacsh Density functionals fast Electronic structure fast Quantum chemistry fast Chemie Density functionals Quantum chemistry Electronic structure Chong, Delano P. Sonstige oth http://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&db=nlabk&AN=564459 Aggregator Volltext |
| spellingShingle | Recent advances in density functional methods, Part II SCIENCE / Chemistry / Physical & Theoretical bisacsh Density functionals fast Electronic structure fast Quantum chemistry fast Chemie Density functionals Quantum chemistry Electronic structure |
| title | Recent advances in density functional methods, Part II |
| title_auth | Recent advances in density functional methods, Part II |
| title_exact_search | Recent advances in density functional methods, Part II |
| title_full | Recent advances in density functional methods, Part II edited by Delano P. Chong |
| title_fullStr | Recent advances in density functional methods, Part II edited by Delano P. Chong |
| title_full_unstemmed | Recent advances in density functional methods, Part II edited by Delano P. Chong |
| title_short | Recent advances in density functional methods, Part II |
| title_sort | recent advances in density functional methods part ii |
| topic | SCIENCE / Chemistry / Physical & Theoretical bisacsh Density functionals fast Electronic structure fast Quantum chemistry fast Chemie Density functionals Quantum chemistry Electronic structure |
| topic_facet | SCIENCE / Chemistry / Physical & Theoretical Density functionals Electronic structure Quantum chemistry Chemie |
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