Excitation Density Functional Theory

Excitation DFT predict excitations.

Publications
4 results
[188] Accurate double excitations from ensemble density functional calculations Francisca Sagredo and Kieron Burke, Journal of Chemical Physics 149, 134103 (2018). [bibtex] [pdf] [doi] [arXiv]
[185] Linear response time-dependent density functional theory of the Hubbard dimer Diego J. Carrascal, Jaime Ferrer, Neepa Maitra and Kieron Burke, The European Physical Journal B 91, 142 (2018). [bibtex] [pdf] [doi] [arXiv]
[179] Direct extraction of excitation energies from ensemble density-functional theory Yang, Zeng-hui, Pribram-Jones, Aurora, Burke, Kieron and Ullrich, Carsten A., Phys. Rev. Lett. 119, 033003 (2017). [supplementary information] [bibtex] [pdf] [doi]
[053] Excitation energies from time-dependent density functional theory using exact and approximate potentials Petersilka, M., E. K. U. Gross and Kieron Burke, International Journal of Quantum Chemistry 80, 534-554 (2000). [bibtex] [pdf] [doi]

Funding

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