Predicting differential cross sections of electron scattering from tetrahydrofuran
- 1. Institute of Atomic and Molecular Physics, Sichuan University, Chengdu, Sichuan, 610065 (China)
- 2. College of OptoElectronic Science and Engineering, National University of Defense Technology, Changsha, Hunan, 410073 (China)
- 3. School of Science, Research Center for Advanced Computation, Xihua University, Chengdu, Sichuan, 610039 (China)
Description
A difference algebraic converging method for electron scattering from molecule ( DACMe ) is suggested based on the recently proposed difference converging method (DCM) to predict unknown differential cross sections (DCSs). The applications of the DACMe to electron scattering from tetrahydrofuran (THF) molecule at energies below 20 eV show that: (1) the DACMe DCSs excellently reproduce all the available experimental data; (2) the DACMe method correctly predicts unknown DCSs that may not be given experimentally; (3) the DACMe can be used as an economic and useful alternative method to predict the correct DCSs where such scattering data are required; (4) the DACMe method does not depend on the size and the stereochemistry structure of a scattering molecule; (5) the algebraic modification to the DCM enhances the computational efficiency of the DCM theoretical study by at least 110 times. (paper)
Availability note (English)
Available from http://dx.doi.org/10.1088/1361-6455/aa640bAdditional details
Identifiers
Publishing Information
- Journal Title
- Journal of Physics. B, Atomic, Molecular and Optical Physics
- Journal Volume
- 50
- Journal Issue
- 8
- Journal Page Range
- [13 p.]
- ISSN
- 0953-4075
- CODEN
- JPAPEH
INIS
- Country of Publication
- United Kingdom
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 49001599
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- DIFFERENTIAL CROSS SECTIONS; EFFICIENCY; ELECTRON-MOLECULE COLLISIONS; ELECTRONS; MODIFICATIONS; MOLECULES; SCATTERING; STEREOCHEMISTRY; TETRAHYDROFURAN
- Descriptors DEC
- COLLISIONS; CROSS SECTIONS; ELECTRON COLLISIONS; ELEMENTARY PARTICLES; FERMIONS; FURANS; HETEROCYCLIC COMPOUNDS; LEPTONS; MOLECULE COLLISIONS; ORGANIC COMPOUNDS; ORGANIC OXYGEN COMPOUNDS