Density Functional Theory : Modeling, Mathematical Analysis, Computational Methods, and Applications
β Scribed by Eric CancΓ¨s; Gero Friesecke
- Publisher
- Springer International Publishing
- Tongue
- English
- Category
- Library
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
Density Functional Theory (DFT) is a quantum mechanical modelling method, used in physics and chemistry to investigate the electronic structure (principally the ground state) of many-body systems, in particular atoms, molecules, and the condensed phases. This book provides current research in the st
<p><p>This book addresses key aspects of recent developments in applied mathematical analysis and its use. It also highlights a broad range of applications from science, engineering, technology and social perspectives. Each chapter investigates selected research problems and presents a balanced mix
Computational mathematics involves mathematical research in areas of science where computing plays a central and essential role, emphasizing algorithms, numerical methods, and symbolic methods. Computation in the research is prominent. Computational mathematics emerged as a distinct part of applied
<p><P>This book is on approximation methods and applications of Quantal Density Functional Theory (QDFT), a new local effective-potential-energy theory of electronic structure. What distinguishes the theory from traditional density functional theory is that the electron correlations due to the Pauli