marlon said:Hi,
Does anyone of you have some links or references to books on Functional Density Theory ? I know the basics but i would like to learn a whole lot more.
Thanks in advance
marlon
Functional Density Theory (FDT) is a mathematical framework used to study the electronic structure of molecules and solids. It is based on the concept of density, which is a measure of the number of electrons per unit volume in a material.
FDT differs from other methods, such as Hartree-Fock theory or density functional theory, in that it focuses on the energy of the system as a functional of the electron density. This allows for more accurate calculations of electronic properties and better treatment of electron correlation.
FDT offers several advantages over other methods, including its ability to accurately describe both weak and strong electron correlation effects, its relatively low computational cost, and its applicability to a wide range of systems including molecules, solids, and interfaces.
FDT has many applications in fields such as materials science, chemistry, and condensed matter physics. It is commonly used to study the electronic properties of materials, predict chemical reactions, and design new materials with specific properties.
Like any model, FDT has its limitations. It is only an approximate method and does not always yield accurate results for all systems. It also requires a functional form for the electron density, which can be challenging to determine for complex systems. Additionally, FDT does not account for relativistic effects or nuclear motion, which may be important in some systems.