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arxiv: cond-mat/9910176 · v1 · submitted 1999-10-12 · ❄️ cond-mat.mtrl-sci

Adiabatic connection from accurate wavefunction calculations

classification ❄️ cond-mat.mtrl-sci
keywords adiabaticatomcalculationsconnectioneasymethodaccuracyaccurate
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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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