Dual-Functional Tamm–Dancoff Approximation with Self-Interaction-Free Orbitals: Vertical Excitation Energies and Potential Energy Surfaces near an Intersection Seam

Yinan Shu, Kelsey A. Parker, Donald G. Truhlar
  • The Journal of Physical Chemistry A, December 2017, American Chemical Society (ACS)
  • DOI: 10.1021/acs.jpca.7b11400
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