L1-regularisation of the coupled-cluster solutions

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

Research output: Contribution to journalArticle

1 Scopus citations

Abstract

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)1-11
Number of pages11
JournalMolecular Physics
DOIs
StateAccepted/In press - Aug 1 2017

Keywords

  • coupled-cluster theory
  • L-regularisation

ASJC Scopus subject areas

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

Fingerprint Dive into the research topics of 'L<sub>1</sub>-regularisation of the coupled-cluster solutions'. Together they form a unique fingerprint.

  • Cite this