Using molecular-dynamics simulations to understand and improve the treatment of anharmonic vibrations. II. Developing and assessing new Debye-Waller factors

Acta Crystallographica Section A: Foundations of Crystallography

Volumn 67, Issue 4, 2011, Pages 346-356

  Reilly, Anthony M ^a,b   Morrison, Carole A ^a   Rankin, David W H ^a   McLean, K Robin ^c  

^a UNIVERSITY OF EDINBURGH   (United Kingdom)

^b TECHNICAL UNIVERSITY OF MUNICH   (Germany)

^c UNIVERSITY OF LIVERPOOL   (United Kingdom)

Author keywords

anharmonic Debye Waller factors; anharmonic thermal motion; molecular dynamics

Indexed keywords

EID: 79959569487     PISSN: 01087673     EISSN: 16005724     Source Type: Journal    
DOI: 10.1107/S010876731101395X     Document Type: Article

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