scholarly journals Low-energy Electron Scattering from Polyatomic Molecules: The Role of Electron Correlation

1992 ◽  
Vol 45 (3) ◽  
pp. 337 ◽  
Author(s):  
C William McCurdy
Keyword(s):  
Electron Scattering ◽  
Scattering Problem ◽  
Bound State ◽  
Potential Scattering ◽  
Theoretical Description ◽  
Polyatomic Molecules ◽  
Many Body ◽  
Low Energy Electron ◽  
Impact Energies

Until recently the principal barrier to the accurate theoretical description of electronic collisions with polyatomic molecules was the problem of scattering by a nonlocal potential which is arbitrarily asymmetric. The last five or six years have seen the development of numerical techniques capable of solving the potential scattering problem, and the first applications of methods for treating many-body aspects of collisions of electrons with polyatomic molecules are beginning to appear in the literature. We describe the complex Kohn method and the use, in scattering calculations, of methods for treating electronic correlation which are standard in bound-state quantum chemistry. As examples of the application of these ideas we present the results of calculations on electron scattering from CH4, SiH4 and C2H6. All of these molecules exhibit Ramsauer-Townsend minima at low impact energies which are entirely correlation effects.

scholarly journals Low-Energy Electron Scattering by CS2 Molecules

2000 ◽  
Vol 53 (6) ◽  
pp. 785 ◽  
Author(s):  
Márcio H. F. Bettega
Keyword(s):  
Cross Section ◽  
Electron Scattering ◽  
Bound State ◽  
Elastic Cross Section ◽  
Low Energy ◽  
Energy Electron ◽  
Shape Resonance ◽  
Low Energy Electron

We report the integral elastic cross section for low-energy electron scattering by CS2 molecules. To perform our calculations we used the Schwinger multichannel method with pseudopotentials.We have found, in a static-exchange calculation, a shape resonance around 1 eV that belongs to the Π u symmetry.With the inclusion of polarisation effects only in that symmetry, we show that the resonance becomes a bound state. This result is in agreement with other results available in the literature.

Comparison of approximation methods in one-dimensional many-body scattering theory

1976 ◽  
Vol 54 (4) ◽  
pp. 376-382 ◽  
Author(s):  
H. T. Coelho ◽  
Y. Nogami ◽  
M. Vallieres
Keyword(s):  
Optical Potential ◽  
Scattering Problem ◽  
Delta Function ◽  
Potential Method ◽  
Bound State ◽  
Group Method ◽  
Many Body ◽  
One Dimensional ◽  
Group Methods ◽  
Low Energies

The Glauber approximation, the optical potential method, and the resonating group method are applied to McGuire's scattering problem for which the exact solution is known. This one-dimensional problem deals with N particles of the same mass, interacting via a two-body delta function potential. The parameters of the model are chosen so that it simulates nucleon–nucleus scattering. When the 'finite N correction' is included, the optical potential method is found to be remarkably accurate, even at low energies. The validity of the optical potential and resonating group methods for the bound state is also examined.

Elastic electron scattering with CH2Br2 and CCl2Br2: The role of the polarization effects

2021 ◽  
Author(s):  
Xiaoli Zhao ◽  
Kedong Wang
Keyword(s):  
Electron Scattering ◽  
Cross Sections ◽  
Substantial Effect ◽  
Elastic Electron ◽  
Elastic Electron Scattering ◽  
Close Coupling ◽  
Polarization Effects ◽  
Impact Energies ◽  
Scattering Cross Sections

Abstract We present elastic electron scattering cross sections with holmethane molecules CH2Br2 and CCl2Br2 in the low energy region ranging from 0.01 to 20 eV. The calculations are performed with R-matrix method in static-exchange plus polarization (SEP) and close-coupling (CC) approximations. The integral, differential, and momentum transfer cross sections are calculated. The convergence of the obtained cross sections is checked at four different levels of SEP approximation. The predicted positions of the resonances agree well with available results. The precise resonance parameters are found to be sensitive to the treatment of polarization effects employed. We found that the polarization has a substantial effect on the cross sections, and this effect becomes even more important for lower impact energies.

scholarly journals Electron scattering cross sections from nitrobenzene in the energy range 0.4–1000 eV: the role of dipole interactions in measurements and calculations

2020 ◽  
Vol 22 (24) ◽  
pp. 13505-13515 ◽  
Author(s):  
L. Álvarez ◽  
F. Costa ◽  
A. I. Lozano ◽  
J. C. Oller ◽  
A. Muñoz ◽  
...  
Keyword(s):  
Energy Range ◽  
Electron Scattering ◽  
Cross Sections ◽  
Total Electron ◽  
Electron Transmission ◽  
Scattering Cross ◽  
Dipole Interactions ◽  
Impact Energies ◽  
Scattering Cross Sections

Absolute total electron scattering cross sections (TCS) for nitrobenzene molecules with impact energies from 0.4 to 1000 eV have been measured by means of two different electron-transmission experimental arrangements.

scholarly journals Relativistic B-Spline R-Matrix Calculations for Electron Scattering from Thallium Atoms

Atoms ◽  
2021 ◽  
Vol 9 (4) ◽  
pp. 94
Author(s):  
Yang Wang ◽  
Hai-Liang Du ◽  
Xi-Ming Zhu ◽  
Oleg Zatsarinny ◽  
Klaus Bartschat
Keyword(s):  
Electron Scattering ◽  
Spin Asymmetry ◽  
Electron Collisions ◽  
R Matrix ◽  
B Spline ◽  
Asymmetry Function ◽  
Low Energy Electron ◽  
Impact Energies ◽  
The Impact ◽  
Good Agreement

The Dirac B-spline R-matrix (DBSR) method is employed to treat low-energy electron collisions with thallium atoms. Special emphasis is placed on spin polarization phenomena that are investigated through calculations of the differential cross-section and the spin asymmetry function. Overall, good agreement between the present calculations and the available experimental measurements is found. The contributions of electron exchange to the spin asymmetry cannot be ignored at low impact energies, while the spin–orbit interaction plays an increasingly significant role as the impact energy rises.

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