skip to main content

Title: Electron impact rotationally elastic total cross section for formamide

This paper reports computational results of the total cross sections for electron impact on formamide (HCONH₂) over a wide range of energies from 0.01 eV to 5 keV. Total cross sections over such a wide range are reported for the first time as the earlier reported data is up to maximum of 12 eV. Below ionization threshold of the target, we performed ab initio calculations using UK molecular R-Matrix code within static, exchange plus polarization (SEP), and close coupling approximations. Twenty eight target states are included in close coupling formalism. Total 350 channels and 2410 configuration state functions are included in the calculations. We observe a π* shape resonance at 3.41 eV and a σ* resonance at 15.3 eV as against similar resonances reported at 3.77 eV and 14.9 eV, respectively, by Goumans et al. [J. Chem. Theory Comput. 5, 217 (2009)] using SEP model. The cross sections at higher energies are evaluated using the spherical complex optical potential formalism. The two methods are found to be consistent with a smooth cross over at 18 eV. The vertical excitation energies, electronic excitation cross sections, differential cross sections, momentum transfer, and total cross sections are computed. In absence of experimental data,more » we compared our computed total cross sections with available other theoretical results.« less
Authors:
 [1] ;  [2] ; ;  [3]
  1. V P and R P T P Science College, Vallabh Vidyanagar 388120 (India)
  2. Department of Applied Physics, The M.S. University of Baroda, Vadodara 390001 (India)
  3. Department of Physics, Sardar Patel University, Vallabh Vidyanagar 388120 (India)
Publication Date:
OSTI Identifier:
22305732
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 116; Journal Issue: 12; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; COMPUTERIZED SIMULATION; COUPLING; DIFFERENTIAL CROSS SECTIONS; ELASTICITY; ELECTRON BEAMS; EV RANGE; EXCITATION; FORMAMIDE; KEV RANGE; MOMENTUM TRANSFER; POLARIZATION; R MATRIX; RESONANCE; SPHERICAL CONFIGURATION; TOTAL CROSS SECTIONS