Low-Energy Electron Scattering from Dimethyl Ether

Sinha, Nidhi; Antony, Bobby

doi:10.1021/acs.jpca.0c01202

Cited by 3 publications

(2 citation statements)

References 38 publications

(90 reference statements)

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“…For taking into account, the influence of the exchange interaction due to the lack of distinguishability between the incident and target’s electron, the parameter-free from “Hara’s free electron gas exchange model” is applied. Further, for the correlation-polarization potential, the form given by Zhang et al is used, and the quasi-free model that Staszewska et al developed is what we use to represent the imaginary part of the complex potential. Once the complete interaction potential has been developed, the Schrödinger equation is then solved by performing a partial wave analysis through the Numerov method to determine the complex phase shifts δ l for each partial wave.…”

Section: Theoretical Methodologymentioning

confidence: 99%

Study of Electron Collisions with Isoprene, 1,2-Butadiene, and Their Isomers

Mahla,

Modak,

Antony

2023

J. Phys. Chem. A

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Isoprene, 1,2-butadiene, and their isomers play an important role in aerosols in the atmosphere, interstellar media, and extraterrestrial life. Since electrons are everywhere, studying how electrons interact with these molecules is an important part of studying such environments. To date, however, little investigation has been conducted in this area. Bearing this in mind, we conducted a thorough investigation to report the various electron scattering cross sections of isoprene, 1,2-butadiene, and their isomers. The methods used for this purpose are reliable within the limits of adopted model potentials. The optical potential method was used to get the total elastic and inelastic cross sections, while the complex scattering potential ionization contribution method was used to get the total ionization cross section from the inelastic contribution. The results from these approximations are pretty close to the results from earlier experiments and theories. Furthermore, most of these isomers are being explored for the first time. Besides, their isomeric effect is also discussed. A correlation between the cross sections of molecules is demonstrated, which can be used to predict cross sections of those molecules where previous data are not available.

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Section: Theoretical Methodologymentioning

confidence: 99%

Study of Electron Collisions with Isoprene, 1,2-Butadiene, and Their Isomers

Mahla,

Modak,

Antony

2023

J. Phys. Chem. A

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“…We suggest that the R-matrix cross sections should be preferred only up to the target ionization threshold as discussed by Sinha and Antony. 52…”

Section: Electronic Excitation Cross Sectionsmentioning

confidence: 99%

Elastic and inelastic low-energy electron scattering from pyridine

Cheng

Cooper

et al. 2023

The Journal of Chemical Physics

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A comprehensive investigation of elastic and inelastic electron scattering from molecular pyridine is reported using ab initio R-matrix method with the static exchange plus polarization and close-coupling approximations for incident energies up to 10 eV. The two well known low-lying 1 2B1 and 1 2A2 shape resonances as well as a 2 2B1 mixed-character resonance compares well with the theoretical and experimental results. We also detect five core-excited resonances (1 2A1, 1 2B2, 3 2B1, 2 2A2 and 4 2B1) which lie above the first electronic excitation threshold. The total elastic cross sections and momentum transfer cross sections agree reasonably with previous reference data. Comparisons of differential elastic cross sections of pyridine with those measured for benzene, pyrazine and pyrimidine show remarkable agreement at scattering angles of above 40{degree sign}, but behave differently for forward scattering below 40{degree sign} below 6 eV, due to the dominant effect of the permanent dipole moment on differential cross section in the low energy region with narrow scattering angles. Inelastic electronic excitation cross sections are presented showing the influence of core-excited resonances below the ionization threshold for the first time.

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