L1-regularisation of the coupled-cluster solutions

Vladimir V. Ivanov, Mykhailo I. Berdnyk, Ludwik Adamowicz

Research output: Contribution to journalArticlepeer-review

1 Scopus citations


It is demonstrated that the inclusion of the L1-norm of the amplitude vector in the coupled-cluster (CC) equations enables to formulate different levels of approximation of the CC model. By using L1-regularised CC theories (L1-CCD, L1-CCSD), the importance of different excited configurations is investigated. The examples of the application of the L1-regularised CC method shown include both the nonempirical and semiempirical levels of the CC theory.

Original languageEnglish (US)
Pages (from-to)2892-2902
Number of pages11
JournalMolecular Physics
Issue number21-22
StatePublished - Nov 17 2017


  • L-regularisation
  • coupled-cluster theory

ASJC Scopus subject areas

  • Biophysics
  • Molecular Biology
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry


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