Density Functional Theory Calculations

• Autres auteurs: Ricardo De Lazaro, Sergio (Éditeur intellectuel), Henrique Da Silveira Lacerda, Luis (Éditeur intellectuel), Augusto Pontes Ribeiro, Renan (Éditeur intellectuel)
• Format: Électronique Chapitre de livre
• Langue: anglais
• Publié: IntechOpen 2021
• Sujets: Condensed matter physics (liquid state & solid state physics)
• Accès en ligne: 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...