What Does PDFT Stand For?

PDFT stands for Perturbation Density Functional Theory

PDFT, or Perturbation Density Functional Theory, is a computational framework used in quantum chemistry and materials science to investigate the electronic properties of systems under perturbations. By leveraging density functional theory (DFT) principles, PDFT enables the analysis of how external influences, such as electric fields or pressure, affect the electronic structure and behavior of molecules and solids. This method provides insights into non-linear responses and enables the study of systems that may be challenging to explore with traditional methods, making it a valuable tool for researchers in theoretical and applied physics.