Oleksiy grechnyev (8 resultados)

Condición: New. pp. 200.

Taschenbuch. 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.…

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.…

Paperback. Condición: Brand New. 2010 edition. 212 pages. 9.21x6.06x0.55 inches. In Stock.

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.…

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 studentsSummarizes the current state of the art i.…

Condición: New. Print on Demand pp. 200.

Condición: New. PRINT ON DEMAND pp. 200.