Adiabatic connection from accurate wavefunction calculations

Details Adiabatic connection from accurate wavefunction calculations Adiabatic connection from accurate wavefunction calculations

1999-10-12

arxiv.org/abs/cond-mat/9910176v1

Physics

Condensed Matter

Materials Science

7 pages, 7 figures, submitted to J. Chem. Phys.; for similar papers, see http://crab.rutgers.edu/~kieron

Scientific paper

10.1063/1.481099

An extremely easy method for accurately calculating the adiabatic connection
of density functional theory is presented, and its accuracy tested on both
Hooke's atom and the He atom. The method is easy because calculations are
needed only for different values of parameters in the external potential, which
can be achieved with almost any electronic structure code.

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