Density Functional Theory Calculations

• Andere auteurs: Ricardo De Lazaro, Sergio (Redacteur), Henrique Da Silveira Lacerda, Luis (Redacteur), Augusto Pontes Ribeiro, Renan (Redacteur)
• Formaat: Elektronisch Hoofdstuk
• Taal: Engels
• Gepubliceerd in: IntechOpen 2021
• Onderwerpen: Condensed matter physics (liquid state & solid state physics)
• Online toegang: 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...