Seniority number description of potential energy surfaces: Symmetric dissociation of water, N2, C2, and Be2.

@article{Bytautas2015SeniorityND,
  title={Seniority number description of potential energy surfaces: Symmetric dissociation of water, N2, C2, and Be2.},
  author={Laimutis Bytautas and Gustavo E. Scuseria and Klaus Ruedenberg},
  journal={The Journal of chemical physics},
  year={2015},
  volume={143 9},
  pages={094105}
}
The present study further explores the concept of the seniority number (Ω) by examining different configuration interaction (CI) truncation strategies in generating compact wave functions in a systematic way. While the role of Ω in addressing static (strong) correlation problem has been addressed in numerous previous studies, the usefulness of seniority… CONTINUE READING