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  • E066701

    Rights statement: © 2006 The American Physical Society

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Inhomogeneous backflow transformations in quantum Monte Carlo calculations

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Article number066701
<mark>Journal publication date</mark>18/12/2006
<mark>Journal</mark>Physical Review E
Issue number6
Number of pages0
Publication StatusPublished
<mark>Original language</mark>English


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 can provide a substantial increase in the amount of correlation energy retrieved within VMC and DMC calculations. The backflow transformations significantly improve the wave functions and their nodal surfaces.

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© 2006 The American Physical Society