Initio methods quantum chemistry (82 resultados)

Paperback. Condición: 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. Condición: Very Good. 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.

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

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

Paperback. Condición: New. For each of 150 landmark papers in ab initio molecular electronic structure methods, the author provides a lucid commentary. The primary focus is methodology, rather than particular chemical problems. The selected papers present important methods and illustrate their effectiveness in predicting a variety of chemical phenomena. 1984 edition.…

Hardcover. Condición: Very good. 1st. Very good brown cloth hardcover with blue titles, ex college library with the usual features including a white label on the spine. The text (588 pp.) is clean and unmarked; the book is tight and square. No dust jacket. We appreciate your order.

Originalbroschur. 22 cm. Condición: 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.…

Condición: New.

Paperback. Condición: New. This book presents the basic theory and application of the Monte Carlo method to the electronic structure of atoms and molecules. It assumes no previous knowledge of the subject, only a knowledge of molecular quantum mechanics at the first-year graduate level. A working knowledge of traditional ab initio quantum chemistry is helpful, but not essential.Some distinguishing features of this book are:Clear exposition of the basic theory at a level to facilitate independent study.;Discussion of the various versions of the theory: diffusion Monte Carlo, Green's function Monte Carlo, and release node Monte Carlo.;Commentary on the important features that distinguish this stochastic approach from ab initio methods..…

Condición: New.

Paperback. Condición: new. Paperback. The goal of this volume is to bring together experts on numerical analysis, computer science and chemistry and produce homogenous contributions on ab initio quantum chemistry. The papers from the different communities collected in this volume are written in a language to be comprehensible to the others. This volume is of interest to applied mathematicians and quantum chemists. On the occasion of the fourth International Conference on Industrial and Applied Mathematics!, we decided to organize a sequence of 4 minisymposia devoted to the mathematical aspects and the numerical aspects of Quantum Chemistry. Shipping may be from multiple locations in the US or from the UK, depending on stock availability.…

PAP. Condición: New. New Book. Shipped from UK. Established seller since 2000.

Paperback or Softback. Condición: New. Mathematical Models and Methods for AB Initio Quantum Chemistry. Book.

Paperback or Softback. Condición: New. Monte Carlo Methods in AB Initio Quantum Chemistry. Book.

Condición: Fair. This is an ex-library book and may have the usual library/used-book markings inside.This book has soft covers. In fair condition, suitable as a study copy. Please note the Image in this listing is a stock photo and may not match the covers of the actual item,500grams, ISBN:9810203225. …

Condición: New.

Condición: As New. Unread book in perfect condition.

Condición: As New. Unread book in perfect condition.

Condición: New.

PAP. Condición: New. New Book. Shipped from UK. Established seller since 2000.

Condición: New.

Condición: New.

Condición: As New. Unread book in perfect condition.

Condición: As New. Unread book in perfect condition.

Condición: New. pp. 264.

Paperback. Condición: Brand New. 246 pages. 9.25x6.25x0.75 inches. In Stock.

Paperback. Condición: Brand New. 318 pages. 8.75x6.25x0.75 inches. In Stock.

hardcover. Condición: Good. Former library copy with stamps and stickers. No highlighting/underlining. Name wirtten on the title page.

Taschenbuch. Condición: Neu. Druck auf Anfrage Neuware - Printed after ordering - On the occasion of the fourth International Conference on Industrial and Applied Mathematics!, we decided to organize a sequence of 4 minisymposia devoted to the mathematical aspects and the numerical aspects of Quantum Chemistry. Our goal was to bring together scientists from different communities, namely mathematicians, experts at numerical analysis and computer science, chemists, just to see whether this heterogeneous set of lecturers can produce a rather homogeneous presentation of the domain to an uninitiated audience. To the best of our knowledgde, nothing of this kind had never been tempted so far. It seemed to us that it was the good time for doing it, both . because the interest of applied mathematicians into the world of computational chemistry has exponentially increased in the past few years, and because the community of chemists feels more and more concerned with the numerical issues. Indeed, in the early years of Quantum Chemistry, the pioneers (Coulson, Mac Weeny, just to quote two of them) used to solve fundamental equations modelling toy systems which could be simply numerically handled in view of their very limited size. The true difficulty arose with the need to model larger systems while possibly taking into account their interaction with their environment. Hand calculations were no longer possible, and computing science came into the picture.…