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Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
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On the choice of reference orbitals for linear-response calculations of solution-phase K-edge X-ray absorption

Kevin Carter-Fenk1, Martin Head-Gordon1,2

  • 1Kenneth S. Pitzer Center for Theoretical Chemistry, Department of Chemistry, University of California, Berkeley, CA 94720, USA. carter-fenk@berkeley.edu.

Physical Chemistry Chemical Physics : PCCP
|October 24, 2022
PubMed

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