The DV-Xα Molecular-Orbital Calculation Method PDF Download
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Author: Tomohiko Ishii Publisher: Springer ISBN: 331911185X Category : Science Languages : en Pages : 358
Book Description
This multi-author contributed volume contains chapters featuring the development of the DV-Xα method and its application to a variety of problems in Materials Science and Spectroscopy written by leaders of the respective fields. The volume contains a Foreword written by the Chairs of Japanese and Korea DV-X alpha Societies. This book is aimed at individuals working in Quantum Chemistry.
Author: Tomohiko Ishii Publisher: Springer ISBN: 331911185X Category : Science Languages : en Pages : 358
Book Description
This multi-author contributed volume contains chapters featuring the development of the DV-Xα method and its application to a variety of problems in Materials Science and Spectroscopy written by leaders of the respective fields. The volume contains a Foreword written by the Chairs of Japanese and Korea DV-X alpha Societies. This book is aimed at individuals working in Quantum Chemistry.
Author: Publisher: Academic Press ISBN: 0080582540 Category : Science Languages : en Pages : 501
Book Description
Advances in Quantum Chemistry publishes surveys of current developments in the rapidly developing field of quantum chemistry--a field that falls between the historically established areas of mathematics, physics, chemistry, and biology. With invited reviews written by leading international researchers, each presenting new results, this quality serial provides a single vehicle for following progress in this interdisciplinary area.
Author: Hirohiko Adachi Publisher: Springer Science & Business Media ISBN: 3540312978 Category : Science Languages : en Pages : 251
Book Description
Molecular-orbital calculations for materials design such as alloys, ceramics, and coordination compounds are now possible for experimentalists. Molecuar-orbital calculations for the interpretation of chemical effect of spectra are also possible for experimentalists. The most suitable molecular-orbital calculation method for these purpose is the DV-Xa method, which is robust in such a way that the calculation converges to a result even if the structure of the molecule or solid is impossible in the pressure and temperature ranges on earth. This book specially addresses the methods to design novel materials and to predict the spectralline shape of unknown materials using the DV-Xa molecular-orbital method, but is also useful for those who want to calculate electronic structures of materials using any kind of method.
Author: Jun Kawai Publisher: Academic Press ISBN: 0080569161 Category : Science Languages : en Pages : 401
Book Description
Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field that falls between the historically established areas of mathematics, physics, chemistry, and biology. With invited reviews written by leading international researchers, each presenting new results, it provides a single vehicle for following progress in this interdisciplinary area. This volume concerns the proceedings of the 4th International Conference on the DV-Xá Method. The focus is on key issues of materials science, surfaces, boundaries, defects, metals, ceramics and organic materials and spectroscopy. The DV-Xá method is a Density Functional-like development, which has reached an unparalleled theoretical and practical sophistication in Japan and Korea. - Publishes articles, invited reviews and proceedings of major international conferences and workshops - Written by leading international researchers in quantum and theoretical chemistry - Highlights important interdisciplinary developments
Author: John R. Sabin Publisher: Gulf Professional Publishing ISBN: 9780120348428 Category : Science Languages : en Pages : 504
Book Description
Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field that falls between the historically established areas of mathematics, physics, chemistry, and biology. With invited reviews written by leading international researchers, each presenting new results, it provides a single vehicle for following progress in this interdisciplinary area.
Author: J. Kihara Publisher: Elsevier ISBN: 0444597336 Category : Science Languages : en Pages : 1009
Book Description
This volume brings together the experience of specialists in the entire field of applications of Materials Science. The volume contains 196 of the excellent papers presented at the conference. This multidisciplinary meeting was held to bring together workers in a wide range of materials science and engineering activities who employ common analytical and experimental methods in their day to day work. The results of the meeting are of worldwide interest, and will help to stimulate future research and analysis in this area.
Author: Tomohiko Ishii
Author: Tomohiko Ishii
Author: 
Author: Hirohiko Adachi
Author: Jun Kawai
Author: John R. Sabin
Author: Tomohiko Ishii
Author: 
Author: Eric L. Shirley
Author: Vasisht Venkatesh
Author: J. Kihara