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Digitale Medien

Correlation energy of an inhomogeneous electron gas: A coordinate-space model (1988)

Becke, A. D.

College Park, Md. : American Institute of Physics (AIP)

The Journal of Chemical Physics 88 (1988), S. 1053-1062

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Details

ISSN: 1089-7690

Quelle: AIP Digital Archive

Thema: Physik , Chemie und Pharmazie

Notizen: We develop a coordinate-space model for dynamical correlations in an inhomogeneous electron gas. The model treats opposite-spin and same-spin pairs separately, and it also accounts properly for correlation contributions to the kinetic energy. Furthermore, it gives identically zero correlation energy in the case of one-electron systems. Applications to the uniform electron gas and to the atoms H through Ar are reported.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1063/1.454274

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