Density functionals for exchange and correlation energies: Exact conditions and comparison of approximations
作者： Mel Levy , John P. Perdew
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摘要: A set of exact conditions is compiled for the purpose of developing and testing approximations for the exchange‐correlation energy as a functional of the electron density. Special emphasis is placed upon recently developed density‐scaling relationships. Commonly used generalized gradient approximations are compared against several of these conditions. A direct tabular comparison of these functionals (not of calculated properties) with one another is also made.© 1994 John Wiley & Sons, Inc.
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