DFTbasierte
DFTbasierte, also known as Density Functional Theory based, refers to a computational method used in chemistry to study the behavior of molecules and materials. This approach combines the principles of density functional theory (DFT) with the concept of basis sets to provide a more accurate description of molecular systems.
The DFTbasierte method is based on the Hohenberg-Kohn theorems, which state that the density of a many-electron
The DFTbasierte method uses a predefined set of basis functions, often optimized for a specific class of
The DFTbasierte method has found applications in various fields of chemistry, including quantum chemistry, materials science,
Some notable variants of the DFTbasierte method include the B3PW91 and PBE0 functionals, which have been widely