John M. Wills; Mebarek Alouani; Per Andersson; Anna Delin; Olle Eriksson; Oleksiy Grechnyev Springer-Verlag Berlin and Heidelberg GmbH & Co. KG (2013) Saatavuus: Tilaustuote Pehmeäkantinen kirja
Alan V. Oppenheim; Alan S. Willsky; with S. Hamid; John R. Buck; Michael M. Daniel; Andrew C. Singer (2004) Saatavuus: Loppuunmyyty Pehmeäkantinen kirja
Alan S. Willsky; with S. Hamid; John R. Buck; Michael M. Daniel; Andrew C. Singer; Alan V. Oppenheim (2003) Saatavuus: Loppuunmyyty Pehmeäkantinen kirja
Springer Sivumäärä: 200 sivua Asu: Kovakantinen kirja Painos: 2010 Julkaisuvuosi: 2010, 02.12.2010 (lisätietoa) Kieli: Englanti
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.