Modeling and analysing thermal motion in experimental charge density studies

2 Citations (Scopus)

Abstract

We present the scientist embarking on an experimental charge-density study with some background knowledge of atomic and molecular motion in crystals, and provide an introduction to the way atomic motion is often modeled or estimated in charge-density studies, as well as examples of how these models can be validated, visualized and analyzed.

Original languageEnglish
Title of host publicationModern charge-density analysis
EditorsCarlo Gatti, Piero Macchi
Number of pages31
PublisherSpringer
Publication date1 Jan 2012
Pages133-163
ISBN (Print)978-90-481-3835-7
ISBN (Electronic)978-90-481-3836-4
DOIs
Publication statusPublished - 1 Jan 2012

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