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New implementation of high-level correlated methods using a general block tensor library for high-performance electronic structure calculations.

Evgeny EpifanovskyMichael WormitTomasz KusArie LandauDmitry ZuevKirill KhistyaevPrashant ManoharIlya KalimanAndreas DreuwAnna I. Krylov
Published in: J. Comput. Chem. (2013)
Keyphrases
  • high level
  • low level
  • complex structures
  • preprocessing
  • computational cost
  • benchmark datasets
  • significant improvement
  • special case
  • higher order