Теорiя функцiонала густини в атомнiй фiзицi

• Date: 2019
• Main Authors: Kryachko, E. S., Remeta, E. Yu.
• Format: Article
• Language: Ukrainian
• Published: Publishing house "Academperiodika" 2019
• Subjects: атом; одноелектронна густина; теорiя функцiонала густини; теорема Хоенберга–Кона; метод самоузгодженого поля Кона–Шема; локально-масштабнi перетворення; -
• Online Access: https://ujp.bitp.kiev.ua/index.php/ujp/article/view/2019665
• Journal Title: Ukrainian Journal of Physics

We offer a broad range of issues lying at the heart of density functional theory, DFT, which is currently omnipresent in nearly all computational studies of atoms, molecules, solids, and nano-materials and composes the grounds of modern many-body computational techiques. A key goal of this review is...