Overlapping Effect Of Electron Clouds Research Articles

Absolute differential, elastic integrated and moment transfer cross sections for electron–OCS collisions at intermediate and high energies

A complex optical model potential modified by incorporating the concept of bonded atom, which takes into consideration the overlapping effect of electron clouds between atoms in a molecule, is firstly employed to calculate the absolute differential, elastic integrated and moment transfer cross sections for electron scattering by OCS over the incident energy range from 200 to 1000 eV using the additivity rule model at Hartree–Fock level. The calculated results are compared with those obtained by experiment and other theories wherever available, and good agreement is obtained over a wide energy range. It is shown that the additivity rule model together with the modified potential is completely suitable for calculating the absolute differential, elastic integrated and moment transfer cross sections of electron scattering by molecules such as OCS.

Absolute differential, elastic integral and moment transfer cross sections for electron scattering by SO2 at intermediate and high energies

Taking into consideration the overlapping effect of electron clouds between two bonded atoms in a molecule, a modificed potential method is presented which can be used to accurately calculate various cross sections for electron scattering by molecules at intermediate and high energies. The modified complex optical potential is directly employed to calculate the absolute differential, elastic integral and moment transfer cross sections for electron scattering by SO2 in the energy range 100—1000 eV by using the additivity rule at Hartree-Fork level. The quantitative results are compared with those obtained by measurement and other theories wherever available. It is shown that the additivity rule model together with the modified complex optical potential can give the encouraging results, which are much closer to the measurements than the unmodified ones.

A modification potential method of calculating total cross sections of electrons scattering from complex molecules C 2 H 6 , C 2 F 6 , C 6 H 6 and C 6 F 6 at 100 eV–5000 eV

A complex optical model potential modified by incorporating the concept of bonded atom, which takes into consideration the overlapping effect of electron clouds between two atoms in a molecule, is first employed to calculate the total cross sections for electrons scattering from such complex molecules as C2H6, C2F6, C6H6 and C6F6 using the additivity rule model at Hartree–Fock level over the energy range from 100 eV to 5000 eV. The total cross sections are quantitatively compared with those obtained by experiments wherever available and they are in good agreement with each other over a wide energy range. It is shown that the modified potential together with the additivity rule model is completely suitable for the calculation of total cross sections of electrons scattering from such complex molecules as C2H6, C2F6, C6H6 and C6F6 above 200 eV–300 eV.

A Modified Potential Method for Electrons Scattering Total Cross SectionCalculations on Several Molecules at 30∼5000 eV: CF4, CCl4, CFCl3,CF2Cl2, and CF3Cl

A complex optical model potential modified by theconcept of bonded atom, which takes into consideration the overlappingeffect of electron clouds between two atoms in a molecule, isemployed to calculate the total cross sections (TCSs) forelectrons scattering from several molecules(CF4, CCl4, CFCl3, CF2Cl2, and CF3Cl)over an incident energy range 30∼5000 eV using the additivityrule model at Hartree–Fock level. The quantitative TCSs are compared with those obtained by experiments and other theories wherever available, and good agreement is obtained above 100 eV. It is shown that the modified potential can successfully calculate the TCSs ofelectron-molecule scattering over a wide energy range, especially atlower energies.

A modification potential method for total cross section calculation of electron scattering by molecules at medium and high energies

Taking into consideration the overlapping effect of electron clouds between two atoms in a molecule, a modification method is presented which can be used to calculate the total cross sections for electron scattering from numerous molecules at medium and high energies. The modified complex optical potential composed of static, exchange, polarization plus absorption is directly employed to calculate the total cross sections for electron scattering from isoelectronic molecules (HCl, H2S, PH3 and SiH4) over the energy range 30—5000eV using the additivity rule model at Hartree-Fock level. The obtained quantitative molecular total cross sections are compared with those obtained by experiments and other theories wherever available, and good agreement is obtained. It is shown that the additivity rule model together with the modified complex optical potential can give much better results than the unmodified one. So, the modification potential method presented here can improve the accuracy of the total cross section calculations of electron scattering from molecules.

Total cross sections for scattering of positron from CO, HCl, NH3 and CH4 at intermediate and high energies

A complex optical model potential modified by incorporating the concept of bonded atom, which takes into consideration the overlapping effect of electron clouds between two atoms in a molecule, is firstly employed to calculate the total cross sections for positron scattering from CO, HCl, NH3, SiH4 in the incident energy range 30—3000eV by using additivity rule model at Hartree-Fock level. In the study, the complex optical model potential composed of static, correlation polarization plus absorption contributions firstly uses the bonded-atom concept. The results of quantitative molecular total cross sections are compared with those obtained by experiments and other theories wherever available, and good agreement is obtained. It is shown that the additivity rule model together with the complex optical potential model modified by incorporating the concept of bonded atom can give much better calculation results than the unmodified one.

Total cross sections for electrons scattering from simple molecules containing the larger atom sulfur at 30–5000eV

A complex optical model potential modified by the concept of bonded atom, which takes into consideration the overlapping effect of electron clouds, is employed to calculate the total cross sections for electrons scattering from simple molecules (SO2, H2S, OCS, CS2 and SO3) containing the larger atom, sulfur, at 30–5000eV by using the additivity rule model at Hartree–Fock level. The quantitative molecular total cross section results are compared with those obtained in experiments and other calculations wherever available and good agreement is obtained. It is shown that the additivity rule model together with the complex optical model potential modified by the concept of bonded atom can give the results closer to the experiments than the one unmodified by it. So, the introduction of bonded-atom concept in complex optical model potential betters the accuracy of the total cross section calculations of electrons from the molecules containing the larger atom, sulfur.

Positron total cross sections for collisions with O 2 , H 2 O and CH 4 in energy range from 30 to 3000eV

Total (elastic plus inelastic) cross sections (TCSs) for the scattering of positrons by molecules O2, H2O and CH4 in the energy range from 30 to 3000eV are calculated using the additivity rule model at Hartree–Fock level. A complex optical model potential modified by incorporating the concept of bonded atom which takes into consideration the overlapping effect of electron clouds between two atoms in a molecule is firstly employed for the TCS calculation of positron–molecule scattering. TCSs are quantitatively compared with those obtained in experiments and other theories wherever available and good agreement is obtained in the energy range from 30 to 3000eV. It is shown that the additivity rule model together with the modified complex optical model potential is completely suitable for the TCS calculations of the positron–molecule scattering.

Total cross sections for the scattering of electrons from methane and chloromethanes at intermediate and high energies

A complex optical model potential modified by incorporating the concept of bonde d atom, which takes into consideration the overlapping effect of electron clouds between two atoms in a molecule, is employed to calculate the total cross sect ions for electron scattering from methane and chloromethanes（CH4 , CCl4, CHCl3, CH2Cl2 and CH3Cl）over the incident energy r ange 30—5000eV by using additivity rule model at Hartree_Fock level. In the stu dy, the complex optical model potential composed of static, exchange, correlatio n polarization plus absorption contributions uses the bonded_atom concept. The quantitative molecular total cross_section results are compared with the experim ental data and other calculation results wherever available, and good agreement is obtained. It is shown that the additivity rule model together with the comple x optical potential model modified by incorporating the concept of bonded atom c an give better results than that unmodified. So, the introduction of the bonded_ atom concept in the complex optical model potential improves the accuracy of the total cross_section calculation results of electrons from molecules.

Absolute differential, elastic integral and moment transfer cross sections for electron scattering from O2 and CF4 at intermediate- and high-energies

A complex optical model potential modified by incorporating the concept of bonded atom, which takes into consideration the overlapping effect of electron clouds between two atoms in a molecule, is employed to calculate the absolute differential cross sections, the elastic integral cross sections, and the moment transfer cross sections for electron scattering from O2 and CF4 i n the energy range 300—1000eV by using additivity rule model at Roothaan-Hartree-Fock level. The quantitative absolute differential cross section, elastic integral cross secti on, and moment transfer cross section results are compared with those obtained b y experiments and other calculations wherever available, and good agreement is o btained. It is shown that the additivity rule model together with the complex op tical model potential modified by incorporating the concept of bonded atom can g ive better results than the one unmodified by it. So, the introduction of the bo nded-atom concept in complex optical model potential betters the accuracy of the absolute differential cross sections, the elastic integral cross sections, and the moment transfer cross sections.

A modification potential method for electron scattering total cross section calculations on several molecules at 30–5000eV

A complex optical model potential modified by incorporating the concept of bonded atom which takes into consideration the overlapping effect of electron clouds between two atoms in a molecule is employed to calculate the total cross sections for electron scattering in such molecules as N2, NO, NO2, CH4, CF4, CF3H, C2H2 and C2H4 at 30–5000eV using the additivity rule model at Hartree–Fock level. The quantitative total cross sections are compared with those obtained in experiments and other theories, wherever available and good agreement is obtained at 30–5000eV. It is shown that the modified calculation results are much closer to the available experimental data than the unmodified ones at lower energies, especially below 500eV. Therefore, considering the overlapping effect of electron clouds in the complex optical model potential could be helpful for better calculation results about electron scattering total cross sections from molecules.

Total Cross Sections for Electron Scattering from the Isoelectronic(Z = 14) Molecules (C2H2, CO, HCN and N2) at100–5000 eV

A complex optical model potential correlated by the concept of bondedatom, which considers the overlapping effect of electron clouds betweenthe two atoms in a molecule, is employed to calculate the total crosssections for electron scattering from the isoelectronic (Z = 14)molecules (C2H2, CO, HCN, andN2) at 100–5000 eV using the additivity rule at the Hartree–Focklevel. The difference between the bonded atom and the free one is thatthe overlapping effect of electron clouds of bonded atoms in moleculesis considered. The quantitative molecular total cross section resultsare compared with the experimental data and with other calculations available and good agreement is obtained above 100 eV. It isshown that the additivity rule along with the complex optical modelpotential considering the overlapping effect of electron clouds cangive results better than when uncorrelated by it. The correlatingcalculations are much closer to the experiments than thespherical-complex-optical-potential results in the lower energy region[Phys. Rev. A 45 (1992) 202]. Therefore, considering the overlappingeffect of electron clouds in the complex optical potential could behelpful for the better accuracy of the total cross section calculationsof electron scattering from molecules.