Adiabatic connection from accurate wavefunction calculations

Derek Frydel; William H. Terilla; Kieron Burke

doi:10.1063/1.481099

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arXiv · cond-mat/9910176

Adiabatic connection from accurate wavefunction calculations

Derek Frydel·William H. Terilla·Kieron Burke

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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.

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Derek Frydel, William H. Terilla, Kieron Burke. 1999-10-12. Adiabatic connection from accurate wavefunction calculations. https://doi.org/10.1063/1.481099

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