Inhomogeneous backflow transformations in quantum Monte Carlo calculations
Inhomogeneous backflow transformations in quantum Monte Carlo calculations
An inhomogeneous backflow transformation for many-particle wave functions is presented and applied to electrons in atoms, molecules, and solids. We report variational and diffusion quantum Monte Carlo (VMC and DMC) energies for various systems and study the computational cost of using backflow wave functions. We find that inhomogeneous backflow transformations …