Adiabatic connection from accurate wavefunction calculations

Abstract

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.

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

References in corpus (1)

• Separation of the Exchange-Correlation Potential into Exchange plus Correlation: an Optimized Effective Potential Approach

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