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Wiley Density Functional Theory: A Practical Introduction

Name: Density Functional Theory: A Practical Introduction
Brand: Wiley

Chemistry

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Density Functional Theory A concise and rigorous introduction to the applications of DFT calculations In the newly revised second edition of Density Functional Theory: A Practical Introduction, the authors deliver a concise and easy-to-follow introduction to the key concepts and practical applications of density functional theory (DFT) with an emphasis on plane-wave DFT. The authors draw on decades of experience in the field, offering students from a variety of backgrounds a balanced approach between accessibility and rigor, creating a text that is highly digestible in its entirety. This new edition: Discusses in more detail the accuracy of DFT calculations and the choice of functionals Adds an overview of the wide range of available DFT codes Contains more examples on the use of DFT for high throughput materials calculations Puts more emphasis on computing phase diagrams and on open ensemble methods widely used in electrochemistry Is significantly extended to cover calculation beyond standard DFT, e.g., dispersion-corrected DFT, DFT+U, time-dependent DFT Perfect for graduate students and postdoctoral candidates in physics and engineering, Density Functional Theory: A Practical Introduction will also earn a place in the libraries of researchers and practitioners in chemistry, materials science, and mechanical engineering.

Product Specifications

Brand: Wiley
Format: hardcover
ASIN: 1119840864
Category: Books > Subjects > Science, Nature & Maths > Chemistry
Domain: Amazon UK
Release Date: 19 December 2022
Listed Since: 14 December 2021

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Wiley Density Functional Theory: A Practical Introduction

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