Density Functional Theory Calculations

• その他の著者: Ricardo De Lazaro, Sergio (編集者), Henrique Da Silveira Lacerda, Luis (編集者), Augusto Pontes Ribeiro, Renan (編集者)
• フォーマット: 電子媒体 図書の章
• 言語: 英語
• 出版事項: IntechOpen 2021
• 主題: Condensed matter physics (liquid state & solid state physics)
• オンライン･アクセス: DOAB: download the publication; DOAB: description of the publication

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...