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Author: Wai-Yim Ching Publisher: OUP Oxford ISBN: 0191635065 Category : Science Languages : en Pages : 328
Book Description
Density functional theory (DFT) has blossomed in the past few decades into a powerful tool that is used by experimentalists and theoreticians alike. This book highlights the extensive contributions that the DFT-based OLCAO method has made to progress in this field, and it demonstrates its competitiveness for performing ab initio calculations on large and complex models of practical systems. A brief historical account and introduction to the elements of the theory set the stage for discussions on semiconductors, insulators, crystalline metals and alloys, complex crystals, non-crystalline solids and liquids, microstructure containing systems and those containing impurities, defects, and surfaces, biomolecular systems, and the technique of ab initio core level spectroscopy calculation.
Author: Wai-Yim Ching Publisher: OUP Oxford ISBN: 0191635065 Category : Science Languages : en Pages : 328
Book Description
Density functional theory (DFT) has blossomed in the past few decades into a powerful tool that is used by experimentalists and theoreticians alike. This book highlights the extensive contributions that the DFT-based OLCAO method has made to progress in this field, and it demonstrates its competitiveness for performing ab initio calculations on large and complex models of practical systems. A brief historical account and introduction to the elements of the theory set the stage for discussions on semiconductors, insulators, crystalline metals and alloys, complex crystals, non-crystalline solids and liquids, microstructure containing systems and those containing impurities, defects, and surfaces, biomolecular systems, and the technique of ab initio core level spectroscopy calculation.
Author: Publisher: ISBN: Category : Aeronautics Languages : en Pages : 602
Book Description
Lists citations with abstracts for aerospace related reports obtained from world wide sources and announces documents that have recently been entered into the NASA Scientific and Technical Information Database.
Author: Publisher: ISBN: Category : Chemistry Languages : en Pages : 716
Book Description
Reports NIST research and development in the physical and engineering sciences in which the Institute is active. These include physics, chemistry, engineering, mathematics, and computer sciences. Emphasis on measurement methodology and the basic technology underlying standardization.
Author: National Science Foundation (U.S.). Blue Ribbon Panel on High Performance Computing Publisher: ISBN: Category : Computer Communications Networks Languages : en Pages : 72
Author: Y. Furukawa Publisher: Elsevier ISBN: 0080526128 Category : Science Languages : en Pages : 435
Book Description
The aim of this book is to provide a timely collection that highlights advances in current research of crystal growth ranging from fundamental aspects to current applications involving a wide range of materials. This book is published on the basis of lecture texts of the 11th International Summer School on Crystal Growth (ISSCG-11) to be held at Doshisha Retreat Center in Shiga Prefecture Japan, on July 24-29, 2001. This school is always associated with the International Conference of Crystal Growth (ICCG) series that have been held every three years since 1973; thus this school continues the tradition of the past 10 schools of crystal growth.
Author: Masako Kato Publisher: Springer Nature ISBN: 9819902606 Category : Science Languages : en Pages : 265
Book Description
This open access book introduces the science of the new materials, soft crystals, by showing various interesting examples. Different from conventional hard and stable crystals, the soft crystals respond to gentle stimuli such as vapor exposure and rubbing but maintain their structural order. In this book, their exhibition of remarkable visual changes in their shape, color, and luminescence is described. Through the chapters, historical background, recent remarkable developments, and future prospects are described concisely. This book helps readers to understand a new concept of materials that have the characteristics of stimulus-sensitive soft matter and finely controlled crystals and to design novel materials with the characteristics. The English translation of this book from its Japanese language original manuscript was done with the help of artificial intelligence (machine translation by the service DeepL.com). The text has subsequently been revised further by a professional copy editor in order to refine the work stylistically.
Author: Wai-Yim Ching
Author: Wai-Yim Ching
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Author: National Science Foundation (U.S.). Blue Ribbon Panel on High Performance Computing
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Author: Y. Furukawa
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Author: Masako Kato