Generalized adiabatic connection in density functional theory


Journal Article

A generalized adiabatic connection is developed for density functional theory. The method extends the well-known adiabatic connection formula and provides a general link between the Kohn-Sham and the physical system. When the complimentary error function is used as a special case, the expression for the exchange-correlation functional does not have the 1/r12 Coulomb component. The exact contributions from the physical system and the noninteracting system are established: The physical system limit has a dominant contribution, while the noninteracting system limit has no contribution. © 1998 American Institute of Physics.

Full Text

Duke Authors

Cited Authors

  • Yang, W

Published Date

  • December 1, 1998

Published In

Volume / Issue

  • 109 / 23

Start / End Page

  • 10107 - 10110

International Standard Serial Number (ISSN)

  • 0021-9606

Digital Object Identifier (DOI)

  • 10.1063/1.477701

Citation Source

  • Scopus