Density Functional Theory Recent Advances, New Perspectives and Applications

• Другие авторы: Glossman-Mitnik, Daniel (Редактор)
• Формат: Электронный ресурс Глава книги
• Язык: английский
• Опубликовано: IntechOpen 2022
• Предметы: Condensed matter physics (liquid state & solid state physics)
• Online-ссылка: DOAB: download the publication; DOAB: description of the publication

Density Functional Theory (DFT) is a powerful technique for calculating and comprehending the molecular and electrical structure of atoms, molecules, clusters, and solids. Its use is based not only on the capacity to calculate the molecular characteristics of the species of interest but also on the...