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- W1980625065 abstract "A new “HCTH” generalized gradient approximation (GGA) functional is presented. Its 15 parameters have been refined against data from a training set containing 407 atomic and molecular systems. We believe that the much enhanced training set means that the new functional HCTH/407 has a much greater universality than previous GGA functionals. Statistical data is presented for the 407 set for the new functional, as well as other functionals." @default.
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- W1980625065 date "2001-04-01" @default.
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- W1980625065 title "A new parametrization of exchange–correlation generalized gradient approximation functionals" @default.
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