Dynamic quantum crystallography: lattice-dynamical models refined against diffraction data. I. Theory

Anna Agnieszka Hoser, Anders Østergaard Madsen

Research output: Contribution to journalJournal articleResearchpeer-review

30 Citations (Scopus)
Original languageEnglish
JournalActa Crystallographica. Section A: Foundations of Crystallography
Volume72
Issue number2
Pages (from-to)206-214
Number of pages9
ISSN0108-7673
DOIs
Publication statusPublished - 2016

Keywords

  • lattice dynamics
  • thermal motion
  • ab initio calculations
  • refinement
  • Debye-Waller factors

Cite this