2013, ISBN: 364226624X

[EAN: 9783642266249], Neubuch, [SC: 0.0], [PU: Springer Berlin Heidelberg], CHEMICALBONDING; DENSITYFUNCTIONALTHEORY; ELECTRONCORRELATIONS; ELECTRONICSTRUCTURETHEORY; OPTICALPROPERTIES; P… Mehr…

[EAN: 9783642266249], Neubuch, [SC: 0.0], [PU: Springer Berlin Heidelberg], CHEMICALBONDING; DENSITYFUNCTIONALTHEORY; ELECTRONCORRELATIONS; ELECTRONICSTRUCTURETHEORY; OPTICALPROPERTIES; POTENTIAL, Druck auf Anfrage Neuware -This is a book describing electronic structure theory and application within the framework of a methodology implemented in the computer code RSPt. In 1986, when the code that was to become RSPt was developed enough to be useful, it was one of the rst full-potential, all-electron, relativistic implem- tations of DFT (density functional theory). While RSPt was documented p- asitically in many publications describing the results of its application, it was many years before a publication explicitly describing aspects of the method appeared. In the meantime, several excellent all-electron, full-potential me- ods had been developed, published, and become available. So why a book about RSPt now The code that became RSPt was initially developed as a personal research tool, rather than a collaborative e ort or as a product. As such it required some knowledge of its inner workings to use, and as it was meant to be m- imally exible, the code required experience to be used e ectively. These - tributes inhibited, but did not prevent, the spread of RSPt as a research tool. While applicable across the periodic table, the method is particularly useful in describing a wide range of materials, including heavier elements and c- pounds, and its exibility provides targeted accuracy and a convenient and accurate framework for implementing and assessing the e ect of new models. 212 pp. Englisch, Books<

ISBN: 9783642266249

[ED: Taschenbuch], [PU: Springer Berlin Heidelberg], Neuware - This is a book describing electronic structure theory and application within the framework of a methodology implemented in t… Mehr…

[ED: Taschenbuch], [PU: Springer Berlin Heidelberg], Neuware - This is a book describing electronic structure theory and application within the framework of a methodology implemented in the computer code RSPt. In 1986, when the code that was to become RSPt was developed enough to be useful, it was one of the rst full-potential, all-electron, relativistic implem- tations of DFT (density functional theory). While RSPt was documented p- asitically in many publications describing the results of its application, it was many years before a publication explicitly describing aspects of the method appeared. In the meantime, several excellent all-electron, full-potential me- ods had been developed, published, and become available. So why a book about RSPt now The code that became RSPt was initially developed as a personal research tool, rather than a collaborative e ort or as a product. As such it required some knowledge of its inner workings to use, and as it was meant to be m- imally exible, the code required experience to be used e ectively. These - tributes inhibited, but did not prevent, the spread of RSPt as a research tool. While applicable across the periodic table, the method is particularly useful in describing a wide range of materials, including heavier elements and c- pounds, and its exibility provides targeted accuracy and a convenient and accurate framework for implementing and assessing the e ect of new models.- Besorgungstitel - vorauss. Lieferzeit 3-5 Tage., DE, [SC: 2.40], Neuware, gewerbliches Angebot, 235x155x11 mm, 212, [GW: 330g], Banküberweisung, Offene Rechnung, Kreditkarte, PayPal, Offene Rechnung (Vorkasse vorbehalten), Internationaler Versand<

ISBN: 9783642266249

This is a book describing electronic structure theory and application within the framework of a methodology implemented in the computer code RSPt. In 1986, when the code that was to becom… Mehr…

This is a book describing electronic structure theory and application within the framework of a methodology implemented in the computer code RSPt. In 1986, when the code that was to become RSPt was developed enough to be useful, it was one of the ?rst full-potential, all-electron, relativistic implem- tations of DFT (density functional theory). While RSPt was documented p- asitically in many publications describing the results of its application, it was many years before a publication explicitly describing aspects of the method appeared. In the meantime, several excellent all-electron, full-potential me- ods had been developed, published, and become available. So why a book about RSPt now? The code that became RSPt was initially developed as a personal research tool, rather than a collaborative e?ort or as a product. As such it required some knowledge of its inner workings to use, and as it was meant to be m- imally ?exible, the code required experience to be used e?ectively. These - tributes inhibited, but did not prevent, the spread of RSPt as a research tool. While applicable across the periodic table, the method is particularly useful in describing a wide range of materials, including heavier elements and c- pounds, and its ?exibility provides targeted accuracy and a convenient and accurate framework for implementing and assessing the e?ect of new models. | Full-Potential Electronic Structure Method by John M. Wills Paperback | Indigo Chapters Books > Science & Nature > Math & Physics > Physics P10117, John M. Wills<

2013, ISBN: 364226624X

2010 Kartoniert / Broschiert Mathematische Physik, ChemicalBonding; Densityfunctionaltheory; electroncorrelations; electronicstructuretheory; opticalproperties; Potential, mit Schutzums… Mehr…

2010 Kartoniert / Broschiert Mathematische Physik, ChemicalBonding; Densityfunctionaltheory; electroncorrelations; electronicstructuretheory; opticalproperties; Potential, mit Schutzumschlag 11, [PU:Springer Berlin Heidelberg; Springer Berlin]<

2013, ISBN: 9783642266249

Taschenbuch

Energy and Force Calculations with Density Functional and Dynamical Mean Field Theory, Buch, Softcover, 2010, [PU: Springer Berlin], Springer Berlin, 2013