Calculating excitation energies by extrapolation along adiabatic connections

  title={Calculating excitation energies by extrapolation along adiabatic connections},
  author={Elisa Rebolini and Julien Toulouse and Andrew M. Teale and Trygve Helgaker and Andreas Savin},
  journal={Physical Review A},
In this paper, an alternative method to range-separated linear-response time-dependent densityfunctional theory and perturbation theory is proposed to improve the estimation of the energies of a physical system from the energies of a partially interacting system. Starting from the analysis of the Taylor expansion of the energies of the partially interacting system around the physical system, we use an extrapolation scheme to improve the estimation of the energies of the physical system at an… 

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Recent Advances in Density Functional Methods Part III

Applications of Density Functional Theory in Solid State Chemistry (S T Bromley et al.) On the Calculation of Ionization Energies within Density Functional Theory (H Chermette et al.) Modeling

Recent Developments and Applications of Modern Density Functional Theory

ferenzen enthalt. Dadurch kann der Léser einzelne Problème weiter vertiefen. Die Sorgfalt, die auf diesen Teil verwandt wurde, erhöht den Gebrauchswert des Werkes noch einmal deutlich. Bei der

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