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Książka Density Functional Theory Roshan Thotagamuge

Density Functional Theory

Foundations and Applications in Material Science

Autor: Roshan Thotagamuge
Język: Angielski
Oprawa: Twarda
Wydawca: Springer, Berlin
Dostępność: Oczekiwana premiera
Wydanie 21. 08. 2026
610.44 zł
This book provides an accessible and comprehensive introduction to Density Functional Theory (DFT) a...

Informacje o książce

Autor
Roshan Thotagamuge
Język
Angielski
Oprawa
Książka - Twarda
Data wydania
2026
strony
137
EAN
9789819597444
Enbook ID
51541616
Wydawca
Springer, Berlin
Wymiary
155 x 235

Pełny opis

This book provides an accessible and comprehensive introduction to Density Functional Theory (DFT) and its applications in materials science, with a particular focus on undergraduate students and early-stage researchers. It introduces the fundamental principles of quantum mechanics that underpin DFT, followed by the theoretical development of the method and its practical implementation in computational materials science. The book covers key topics such as the Hohenberg Kohn theorems, Kohn Sham equations, exchange correlation functionals, and practical approaches to performing DFT calculations using widely used computational tools. In addition to the theoretical framework, it highlights important applications of DFT in solid-state physics, surface science, nanomaterials, and material defects. Designed for students in physics, chemistry, materials science, and related disciplines, this book bridges the gap between theory and practice by explaining complex concepts in a clear and structured manner while providing guidance on applying DFT to solve real-world materials problems. It will also serve as a useful reference for researchers beginning their work in computational materials modeling and molecular simulations.