Density Functional Theory: A Practical Introduction

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Product Details

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.

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Density Functional Theory: A Practical Introduction

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