Density-functional theory calculations with correct long-range potentials
A different technique for constructing asymptotically correct potentials was explored. This technique was first developed to determine the optimized effective potential in density-functional theory and produced excellent results. This paper uses a fixed referenced potential, namely the Fermi-Amaldi term, to account for the long-range behavior, and a linear combination of basis functions whose coefficients are determined through energy optimization.
Wu, Q; Ayers, PW; Yang, W
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