Density functional theory recent (36 résultats)

Hardcover. Etat : Very Good. 1st Edition. Oversized hardcover, xi + 451 pages, NOT ex-library. Weight 920g. Minor wear to tips of corners of a portion of leaves, else interior is fine: clean and bright throughout with unmarked text, free of inscriptions and stamps, firmly bound. Boards show gentle handling wear. Issued without a dust jacket.…

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HRD. Etat : New. New Book. Shipped from UK. Established seller since 2000.

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Taschenbuch. Etat : Neu. Electronic Density Functional Theory | Recent Progress and New Directions | John F. Dobson (u. a.) | Taschenbuch | x | Englisch | 2013 | Springer | EAN 9781489903181 | Verantwortliche Person für die EU: Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg, juergen[dot]hartmann[at]springer[dot]com | Anbieter: preigu. …

Taschenbuch. Etat : Neu. Druck auf Anfrage Neuware - Printed after ordering - This book is an outcome of the International Workshop on Electronic Density Functional Theory, held at Griffith University in Brisbane, Australia, in July 1996. Density functional theory, standing as it does at the boundary between the disciplines of physics, chemistry, and materials science, is a great mixer. Invited experts from North America, Europe, and Australia mingled with students from several disciplines, rapidly taking up the informal style for which Australia is famous. A list of participants is given at the end of the book. Density functional theory (DFT) is a subtle approach to the very difficult problem of predicting the behavior of many interacting particles. A major application is the study of many-electron systems. This was the workshop theme, embracing inter alia computational chemistry and condensed matter physics. DFT circumvents the more conceptually straightforward (but more computationally intensive) approach in which one solves the many-body Schrodinger equation. It relies instead on rather delicate considerations involving the electron number density. For many years the pioneering work of Kohn and Sham (the Local Density Ap proximation of 1965 and immediate extensions) represented the state of the art in DFT. This approach was widely used for its appealing simplicity and computability, but gave rather modest accuracy. In the last few years there has been a renaissance of interest, quite largely due to the remarkable success of the new generation of gradient functionals whose initiators include invitees to the workshop (Perdew, Parr, Yang).…

Buch. Etat : Neu. Druck auf Anfrage Neuware - Printed after ordering - This book is an outcome of the International Workshop on Electronic Density Functional Theory, held at Griffith University in Brisbane, Australia, in July 1996. Density functional theory, standing as it does at the boundary between the disciplines of physics, chemistry, and materials science, is a great mixer. Invited experts from North America, Europe, and Australia mingled with students from several disciplines, rapidly taking up the informal style for which Australia is famous. A list of participants is given at the end of the book. Density functional theory (DFT) is a subtle approach to the very difficult problem of predicting the behavior of many interacting particles. A major application is the study of many-electron systems. This was the workshop theme, embracing inter alia computational chemistry and condensed matter physics. DFT circumvents the more conceptually straightforward (but more computationally intensive) approach in which one solves the many-body Schrodinger equation. It relies instead on rather delicate considerations involving the electron number density. For many years the pioneering work of Kohn and Sham (the Local Density Ap proximation of 1965 and immediate extensions) represented the state of the art in DFT. This approach was widely used for its appealing simplicity and computability, but gave rather modest accuracy. In the last few years there has been a renaissance of interest, quite largely due to the remarkable success of the new generation of gradient functionals whose initiators include invitees to the workshop (Perdew, Parr, Yang).…

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Hardcover. Etat : Brand New. 1st edition. 464 pages. 10.00x6.75x1.25 inches. In Stock.

Etat : New. pp. 862 1st Edition.

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Etat : New. pp. 862.

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Buch. Etat : Neu. nach der Bestellung gedruckt Neuware - Printed after ordering - Density functional theory (DFT) ranks as the most widely used quantum mechanical method and plays an increasingly larger role in a number of disciplines such as chemistry, physics, material, biology, and pharmacy. DFT has long been used to complement experimental investigations, while now it is also regarded as an indispensable and powerful tool for researchers of different fields. This book is divided into five sections that include original chapters written by experts in their fields: 'Method Development and Validation,' 'Spectra and Thermodynamics,' 'Catalysis and Mechanism,' 'Material and Molecular Design,' and 'Multidisciplinary Integration.' I would like to express my sincere gratitude to all contributors and recommend this book to both beginners and experienced researchers.…

Buch. Etat : Neu. Density Functional Calculations | Recent Progresses of Theory and Application | Gang Yang | Buch | 272 S. | Englisch | 2018 | IntechOpen | EAN 9781789231328 | Verantwortliche Person für die EU: BoD - Books on Demand, In de Tarpen 42, 22848 Norderstedt, info[at]bod[dot]de | Anbieter: preigu Print on Demand.…

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