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Efficient and automated computation of accurate molecular geometries using focal-point approximations to large-basis coupled-cluster theory

Warden, Constance E.; Smith, Daniel G. A.; Burns, Lori A.; Bozkaya, Ugur; Sherrill, C. David


BibTeX

@article{warden_constance_e_2020_5751,
  author       = {Warden, Constance E. and
                  Smith, Daniel G. A. and
                  Burns, Lori A. and
                  Bozkaya, Ugur and
                  Sherrill, C. David},
  title        = {{Efficient and automated computation of accurate 
                   molecular geometries using focal-point
                   approximations to large-basis coupled-cluster
                   theory}},
  journal      = {JOURNAL OF CHEMICAL PHYSICS},
  year         = 2020,
  volume       = 152,
  number       = 12,
  month        = jan,
}
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