Boundary problems in the calculation of light scattering intensities from liquids using computer simulation

✍ Scribed by J.H.R. Clarke; L.V. Woodcock

• Publisher: Elsevier Science
• Year: 1981
• Tongue: English
• Weight: 289 KB
• Volume: 78
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(81)85566-2

✦ Synopsis

Computer smuhuon of molecuk dynarmcs m the Lcnnard-Jones model of hquld argon at the rnple pomt dennty has been used to calculate depoktsed scattenng tntenstties based on a patrwsc-addtttve dipole-induced-dtpole mechamsm It 1s shon n that huge systemattc errors anse from boundary effects as a result of the firute SKC of the model hquld sample, ThlS sererel) hnuts the use of such calcuhilons m evaluating h$t-scattenng models