ISBN: 9783642151446

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… 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.; PDF; Scientific, Technical and Medical > Physics > States of matter, Springer Berlin Heidelberg<

ISBN: 9783642151446

*Full-Potential Electronic Structure Method* - Energy and Force Calculations with Density Functional and Dynamical Mean Field Theory / pdf eBook für 96.49 € / Aus dem Bereich: eBooks, Fac… Mehr…

*Full-Potential Electronic Structure Method* - Energy and Force Calculations with Density Functional and Dynamical Mean Field Theory / pdf eBook für 96.49 € / Aus dem Bereich: eBooks, Fachthemen & Wissenschaft, Wissenschaften, allgemein Medien > Bücher nein eBook als pdf eBooks > Fachthemen & Wissenschaft > Wissenschaften allgemein, Springer-Verlag GmbH<

ISBN: 9783642151446

Full-Potential Electronic Structure Method - Energy and Force Calculations with Density Functional and Dynamical Mean Field Theory: ab 96.49 € eBooks > Fachthemen & Wissenschaft > Wissens… Mehr…

Full-Potential Electronic Structure Method - Energy and Force Calculations with Density Functional and Dynamical Mean Field Theory: ab 96.49 € eBooks > Fachthemen & Wissenschaft > Wissenschaften allgemein Springer-Verlag GmbH eBook als pdf, Springer-Verlag GmbH<

2010, ISBN: 9783642151446

Energy and Force Calculations with Density Functional and Dynamical Mean Field Theory, eBooks, eBook Download (PDF), Auflage, [PU: Springer-Verlag], [ED: 1], Springer-Verlag, 2010

2010, ISBN: 9783642151446

Energy and Force Calculations with Density Functional and Dynamical Mean Field Theory, eBooks, eBook Download (PDF), 2010, [PU: Springer Berlin], Springer Berlin, 2010