Applications density functional theory (65 Ergebnisse)

Hardcover. Zustand: Very Good. 1. It's a well-cared-for item that has seen limited use. The item may show minor signs of wear. All the text is legible, with all pages included. It may have slight markings and/or highlighting.

Zustand: New. In English.

Zustand: Very Good. Former library copy. Pages intact with possible writing/highlighting. Binding strong with minor wear. Dust jackets/supplements may not be included. Includes library markings. Stock photo provided. Product includes identifying sticker. Better World Books: Buy Books. Do Good.

Zustand: New. In English.

2004. 16 x 24 cm. X, 244 S. X, 244 p. Hardcover. Versand aus Deutschland / We dispatch from Germany via Air Mail. Einband bestoßen, daher Mängelexemplar gestempelt, sonst sehr guter Zustand. Imperfect copy due to slightly bumped cover, apart from this in very good condition. Stamped. (Structure and Bonding). Sprache: Englisch.…

Zustand: Very Good. Most items will be dispatched the same or the next working day. A copy that has been read, but is in excellent condition. Pages are intact and not marred by notes or highlighting. The spine remains undamaged.

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

Paperback. Zustand: Brand New. reprint edition. 526 pages. 9.75x6.75x1.25 inches. In Stock.

Zustand: New. In English.

Zustand: New. This is a Brand-new US Edition. This Item may be shipped from US or any other country as we have multiple locations worldwide.

Taschenbuch. Zustand: Neu. Investigating properties of GaSbNBi for optoelectronic applications | An approach employing semi-empirical modelling and Density Functional Theory (DFT) | Utsa Das | Taschenbuch | Englisch | 2023 | LAP LAMBERT Academic Publishing | EAN 9786206159957 | Verantwortliche Person für die EU: preigu GmbH & Co. KG, Lengericher Landstr. 19, 49078 Osnabrück, mail[at]preigu[dot]de | Anbieter: preigu.…

Zustand: New. This is a Brand-new US Edition. This Item may be shipped from US or any other country as we have multiple locations worldwide.

Zustand: New. In English.

Zustand: New. In English.

Zustand: New.

Zustand: New. In English.

Zustand: New. In English.

Hardcover. Zustand: Brand New. 1st edition. 216 pages. 9.45x6.69x0.71 inches. In Stock.

Zustand: New. In English.

Zustand: New. This is a Brand-new US Edition. This Item may be shipped from US or any other country as we have multiple locations worldwide.

Zustand: Used. pp. 212 Illus.

Zustand: New. In English.

Zustand: Used. pp. 212.

Taschenbuch. Zustand: Neu. Quantal Density Functional Theory II | Approximation Methods and Applications | Viraht Sahni | Taschenbuch | xviii | Englisch | 2014 | Springer | EAN 9783642425417 | Verantwortliche Person für die EU: Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg, juergen[dot]hartmann[at]springer[dot]com | Anbieter: preigu. …

Zustand: Hervorragend. Zustand: Hervorragend | Seiten: 330 | Sprache: Englisch | Produktart: Bücher | Density Functional Theory (DFT) is a powerful technique for calculating and comprehending the molecular and electrical structure of atoms, molecules, clusters, and solids. Its use is based not only on the capacity to calculate the molecular characteristics of the species of interest but also on the provision of interesting concepts that aid in a better understanding of the chemical reactivity of the systems under study. This book presents examples of recent advances, new perspectives, and applications of DFT for the understanding of chemical reactivity through descriptors forming the basis of Conceptual DFT as well as the application of the theory and its related computational procedures in the determination of the molecular properties of different systems of academic, social, and industrial interest.…

Taschenbuch. Zustand: Neu. Druck auf Anfrage Neuware - Printed after ordering - In my original proposal to Springer for a book on Quantal Density Functional Theory, I had envisaged one that was as complete in its presentation as possible, describing the basic theory as well as the approximation methods and a host of applications. However,after workingon the bookforabout five years, I realizedthat the goal was too ambitious, and that I would be writing for another five years for it to be achieved. Fortunately,there was a natural breakin the material, and I proposed to my editor, Dr. Claus Ascheron, that we split the book into two components: the first on the basic theoretical framework, and the second on approximation methods and applications. Dr. Ascheron consented, and I am thankful to him for agreeing to do so. Hence, we published Quantal Density Functional Theory in 2004, and are now publishing Quantal Density Functional Theory II: Approximation Methods and Applications. One signi cant advantage of this, as it turns out, is that I have been able to incorporate in each volume the most recent understandings available. This volume, like the earlier one, is aimed at advanced undergraduates in physics and chemistry, graduate students and researchers in the eld. It is written in the same pedagogical style with details of all proofs and numerous gures provided to explain the physics. The book is independent of the first volume and stands on its own. However, proofs given in the first volume are not repeated here.…

Buch. Zustand: Neu. Druck auf Anfrage Neuware - Printed after ordering - This book provides an accessible and comprehensive introduction to Density Functional Theory (DFT) and its applications in materials science, with a particular focus on undergraduate students and early-stage researchers. It introduces the fundamental principles of quantum mechanics that underpin DFT, followed by the theoretical development of the method and its practical implementation in computational materials science. The book covers key topics such as the Hohenberg Kohn theorems, Kohn Sham equations, exchange correlation functionals, and practical approaches to performing DFT calculations using widely used computational tools. In addition to the theoretical framework, it highlights important applications of DFT in solid-state physics, surface science, nanomaterials, and material defects. Designed for students in physics, chemistry, materials science, and related disciplines, this book bridges the gap between theory and practice by explaining complex concepts in a clear and structured manner while providing guidance on applying DFT to solve real-world materials problems. It will also serve as a useful reference for researchers beginning their work in computational materials modeling and molecular simulations.…

Hardcover. Zustand: gut. 2004. Principles and Applications of Density Functional Theory in Inorganic Chemistry I In deutscher Sprache. pages.

Buch. Zustand: Neu. Druck auf Anfrage Neuware - Printed after ordering - DFT methods are widely used in a broad range of disciplines to investigate many body systems. This book provides an overview on contemporary applications of the Density Functional Theory in various fields as computational chemistry, physics or engineering.…

Taschenbuch. Zustand: Neu. Density Functional Theory | Modeling, Mathematical Analysis, Computational Methods, and Applications | Eric Cancès (u. a.) | Taschenbuch | Mathematics and Molecular Modeling | xix | Englisch | 2024 | Springer | EAN 9783031223426 | Verantwortliche Person für die EU: Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg, juergen[dot]hartmann[at]springer[dot]com | Anbieter: preigu. …