From the reviews:
“The book describes the electron structure theory and its applications within the implementation by using the computer code for relativistic spin-polarized tests (RSPt). ... the book presents a very interesting attempt to create a powerful electronic database of physical properties ... . may be useful to students, post-graduate students, their teachers and researchers working in modern chemistry, physics and material sciences.” (I. A. Parinov, Zentralblatt MATH, Vol. 1217, 2011)"Sobre este título" puede pertenecer a otra edición de este libro.
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Descripción Hardcover. Condición: new. Nº de ref. del artículo: 9783642151439
Descripción Condición: New. Nº de ref. del artículo: ABLIING23Mar3113020219490
Descripción Condición: New. PRINT ON DEMAND Book; New; Fast Shipping from the UK. No. book. Nº de ref. del artículo: ria9783642151439_lsuk
Descripción Buch. Condición: Neu. This item is printed on demand - it takes 3-4 days longer - 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. Nº de ref. del artículo: 9783642151439
Descripción Gebunden. Condición: New. Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. Summarizes the current state of the art in total energy and force calculations Gives detailed explanations on applying density functional theory to these problems Reference to researchers and graduate studentsJohn Wills is a Technical Staff Member in th. Nº de ref. del artículo: 5050727
Descripción Buch. Condición: Neu. Druck auf Anfrage Neuware - Printed after ordering - 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. Nº de ref. del artículo: 9783642151439