Full Potential Electronic Structure Method is popular PDF and ePub book, written by John M. Wills in 2011-07-23, it is a fantastic choice for those who relish reading online the Science genre. Let's immerse ourselves in this engaging Science book by exploring the summary and details provided below. Remember, Full Potential Electronic Structure Method can be Read Online from any device for your convenience.
Full Potential Electronic Structure Method Book PDF Summary
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.
Detail Book of Full Potential Electronic Structure Method PDF
- Author : John M. Wills
- Release : 23 July 2011
- Publisher : Springer
- ISBN : 3642151450
- Genre : Science
- Total Page : 200 pages
- Language : English
- PDF File Size : 17,7 Mb
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