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Second-order state-specific multireference Møller Plesset perturbation theory: Application to energy surfaces of diimide, ethylene, butadiene, and cyclobutadiene.

Uttam Sinha MahapatraSudip ChattopadhyayRajat K. Chaudhuri
Published in: J. Comput. Chem. (2011)
Keyphrases
  • perturbation theory
  • hidden markov models
  • relational data
  • relational databases
  • energy consumption