Density Functional Theory Calculations

This book is a contribution to the fast and broad Density Functional Theory (DFT) applications of the last few years. Since 2000, the DFT has grown exponentially in several computational areas because of its versatility and reliability to calculate energy from electronic density. The fast DFT’s calc...

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Format: Online
Langue:anglais
Publié: IntechOpen 2021
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Accès en ligne:ONIX_20210420_9781838810832_3206
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