skip to main content

Title: Investigation of Compton profiles of molecular methane and ethane

The Compton profiles of methane and ethane molecules have been determined at an incident photon energy of 20 keV based on the third generation synchrotron radiation, and the statistical accuracy of 0.2% is achieved near p{sub z} = 0. The density functional theory with aug-cc-pVTZ basis set was used to calculate the Compton profiles of methane and ethane. The present experimental Compton profiles are in better agreement with the theoretical calculations in the whole p{sub z} region than the previous experimental results, which indicates that the present experimental Compton profiles are accurate enough to serve as the benchmark data for methane and ethane molecules.
Authors:
; ; ; ; ;  [1] ;  [2] ; ; ;  [3]
  1. Hefei National Laboratory for Physical Sciences at Microscale and Department of Modern Physics,University of Science and Technology of China, Hefei, Anhui 230026 (China)
  2. (China)
  3. Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201204 (China)
Publication Date:
OSTI Identifier:
22416174
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 142; Journal Issue: 8; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ACCURACY; BENCHMARKS; COMPTON EFFECT; DENSITY FUNCTIONAL METHOD; ETHANE; KEV RANGE; METHANE; MOLECULES; PHOTONS; SYNCHROTRON RADIATION