Conical Intersections from Particle-Particle Random Phase and Tamm-Dancoff Approximations.

@article{Yang2016ConicalIF,
  title={Conical Intersections from Particle-Particle Random Phase and Tamm-Dancoff Approximations.},
  author={Yang Yang and Lin Shen and Du Yao Zhang and Weitao Yang},
  journal={The journal of physical chemistry letters},
  year={2016},
  volume={7 13},
  pages={
          2407-11
        }
}
The particle-particle random phase approximation (pp-RPA) and the particle-particle Tamm-Dancoff approximation (pp-TDA) are applied to the challenging conical intersection problem. Because they describe the ground and excited states on the same footing and naturally take into account the interstate interaction, these particle-particle methods, especially the pp-TDA, can correctly predict the dimensionality of the conical intersection seam as well as describe the potential energy surface in the… CONTINUE READING

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