Methods electronic structure theory (24 Ergebnisse)

Paperback. Zustand: Good. This guide is guaranteed to prove of keen interest to the broad spectrum of experimental chemists who use electronic structure theory to assist in the interpretation of their laboratory findings. A list of 150 landmark papers in ab initio molecular electronic structure methods, it features the first page of each paper (which usually encompasses the abstract and introduction). Its primary focus is methodology, rather than the examination of particular chemical problems, and the selected papers either present new and important methods or illustrate the effectiveness of existing methods in predicting a variety of chemical phenomena.…

Paperback. Zustand: Fair. No Jacket. Readable copy. Pages may have considerable notes/highlighting. ~ ThriftBooks: Read More, Spend Less.

Paperback. Zustand: As New. No Jacket. Pages are clean and are not marred by notes or folds of any kind. ~ ThriftBooks: Read More, Spend Less.

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

Zustand: Very Good. Zustand des Schutzumschlags: 48346942. 1791465301. 10/8/2026 1:15:01 PM.

Zustand: Good. Your purchase helps support Sri Lankan Children's Charity 'The Rainbow Centre'. Ex-library, so some stamps and wear, but in good overall condition. Our donations to The Rainbow Centre have helped provide an education and a safe haven to hundreds of children who live in appalling conditions.…

Originalbroschur. 22 cm. Zustand: Sehr gut. First edition. VII, 144 pages. VERY FRESH copy. (Wir haben zahlreiche Titel in diesem Sachgebiet auf unserer HP.) Aufgrund der von der Europäischen Union erlassenen Handels-Erschwernisse (die neue europäische Verpackungsverordnung mit extremen Gebühren für Händler) kann in folgende Länder KEIN VERSAND erfolgen: Bulgarien, Dänemark, Estland, Finnland, Griechenland, Irland, Kroatien, Lettland, Litauen, Luxemburg, Malta, Polen, Portugal, Rumänien, Schweden, Slowakei, Slowenien, Ungarn, Zypern. Falls Sie eine Rechnungs- und Lieferadresse in DEUTSCHLAND ermöglichen, kann an diese deutsche Adresse OHNE PROBLEME geliefert werden. Sprache: Englisch Gewicht in Gramm: 300.…

Couverture rigide. Zustand: bon. R260270043: 1977. In-8. Relié. Bon état, Couv. convenable, Dos satisfaisant, Intérieur frais. 462 pages. Avec Jaquette. . . Classification Dewey : 420-Langue anglaise. Anglo-saxon.

Zustand: Good. Your purchase helps support Sri Lankan Children's Charity 'The Rainbow Centre'. Ex-library, so some stamps and wear, but in good overall condition. Our donations to The Rainbow Centre have helped provide an education and a safe haven to hundreds of children who live in appalling conditions.…

Zustand: Good. This is an ex-library book and may have the usual library/used-book markings inside.This book has hardback covers. In good all round condition. No dust jacket. Please note the Image in this listing is a stock photo and may not match the covers of the actual item,400grams, ISBN:0198551835. …

Zustand: New. In English.

Zustand: New. In English.

Zustand: New. In English.

paperback. Zustand: Wie neu. 760 Seiten; 9780443265969.1 Gewicht in Gramm: 500.

Gebunden. Zustand: New. Electronic structure is the most highly referenced field in physics, making possible calculation of materials from the fundamental equations of quantum mechanics. This book is written for graduate students and research scientists in physics, chemistry and m.

Zustand: New. 2020. 2nd Edition. Hardcover. . . . . . Books ship from the US and Ireland.

Taschenbuch. Zustand: Neu. Druck auf Anfrage Neuware - Printed after ordering - These two volumes deal with the quantum theory of the electronic structure of molecules. Implicit in the term ab initio is the notion that approximate solutions of Schrödinger's equation are sought 'from the beginning,' i. e. , without recourse to experimental data. From a more pragmatic viewpoint, the distin guishing feature of ab initio theory is usually the fact that no approximations are involved in the evaluation of the required molecular integrals. Consistent with current activity in the field, the first of these two volumes contains chapters dealing with methods per se, while the second concerns the application of these methods to problems of chemical interest. In asense, the motivation for these volumes has been the spectacular recent success of ab initio theory in resolving important chemical questions. However, these applications have only become possible through the less visible but equally important efforts of those develop ing new theoretical and computational methods and models. Henry F Schaefer Vll Contents Contents of Volume 4 XIX Chapter 1. Gaussian Basis Sets for Molecular Calculations Thom. H. Dunning, Ir. and P. Ieffrey Hay 1. Introduction . . . . . . . . . . . . . . . . 1 1. 1. Slater Functions and the Hydrogen Moleeule 1 1. 2. Gaussian Functions and the Hydrogen Atom 3 2. Hartree-Fock Calculations on the First Row Atoms 5 2. 1. Valence States of the First Row Atoms 6 7 2. 2. Rydberg States of the First Row Atoms 9 2. 3. …

Zustand: New. This 2006 graduate textbook describes the theoretical approaches and computational techniques for studying electronic structure problems. Num Pages: 372 pages, 26 b/w illus. BIC Classification: PHFC. Category: (P) Professional & Vocational. Dimension: 250 x 177 x 23. Weight in Grams: 806. . 2006. Illustrated. hardcover. . . . . Books ship from the US and Ireland. …

Hardcover. Zustand: Brand New. 762 pages. 9.50x6.75x1.50 inches. In Stock.

Paperback. Zustand: Brand New. 482 pages. 9.61x6.69x1.93 inches. In Stock.

Buch. Zustand: Neu. Druck auf Anfrage Neuware - Printed after ordering - Electronic structure problems are studied in condensed matter physics and theoretical chemistry to provide important insights into the properties of matter. This 2006 graduate textbook describes the main theoretical approaches and computational techniques, from the simplest approximations to the most sophisticated methods. It starts with a detailed description of the various theoretical approaches to calculating the electronic structure of solids and molecules, including density-functional theory and chemical methods based on Hartree-Fock theory. The basic approximations are thoroughly discussed, and an in-depth overview of recent advances and alternative approaches in DFT is given. The second part discusses the different practical methods used to solve the electronic structure problem computationally, for both DFT and Hartree-Fock approaches. Adopting a unique and open approach, this textbook is aimed at graduate students in physics and chemistry, and is intended to improve communication between these communities. It also serves as a reference for researchers entering the field.…

Zustand: gut. 2020. Electronic Structure: Basic Theory and Practical Methods In englischer Sprache. pages.

Zustand: gut. 2026. Handbook of Electronic Structure Theory: Methods and Applications In englischer Sprache. pages.