Double-differential cross sections for single ionization of simple polyatomic molecules by proton impact

Mondal, Anup; Halder, S.; Mukherjee, Soumava; Mandal, Chittaranjan; Purkait, M.

doi:10.1103/physreva.96.032710

Cited by 12 publications

(22 citation statements)

References 54 publications

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“…Due to the complexity of such multi-particle collision system, we reduce this to a three-body system composed of the projectile, the active electron, and the residual target [33,[53][54][55]. As per previous works [56,57], here we use an independent active electron approximation by considering that the other electrons remain frozen in their initial orbitals during the collision. Validity of this theory claims the impact velocities to be high enough so that the collision time is smaller than the one corresponding to the relaxation of the passive electrons.…”

Section: Theorymentioning

confidence: 99%

“…where N (γ ) = e − π 2 γ (1 − iγ ), the evaluation of the transition amplitude of (15) finally reduced to a threedimensional numerical integration such as Lewis and two complex integrations. The numerical integrations are carried out using different Gaussian quadrature methods with proper precautions for the convergence of the integrals [57,60,68].…”

Section: For Ionizationmentioning

confidence: 99%

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Ionization and Electron Capture Cross Sections for Single-Electron Removal from Biological Molecules by Swift Ion

et al. 2020

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Section: Theorymentioning

confidence: 99%

Section: For Ionizationmentioning

confidence: 99%

Ionization and Electron Capture Cross Sections for Single-Electron Removal from Biological Molecules by Swift Ion

et al. 2020

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“…This approximation was first formulated with success to study electron capture for the case of atomic targets [39,40] and then extended to molecular targets [41]. This approximation has also been applied for electron ionization of atomic and molecular targets [42][43][44][45][46][47]. As the collision energies considered in this work (from 25 keV/amu up to several MeV/amu), the rotation and vibration periods of the molecule are larger than the collision time and it is a reasonable approximation to treat the nuclei as fixed during the collision.…”

Section: Theoretical Modelmentioning

confidence: 99%

Single-Capture Cross Sections from Biological Molecules and Noble Gases by Bare Ion Impact

et al. 2019

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In this work, we report theoretical electron capture cross sections for single-electron removal from molecules of biological interest and noble gases by bare ion (H + and H e 2+) impact at energies ranging from 25 to 10,000 keV/amu. We use a distorted wave (DW) method where the intermediate continuum state of the active electron with the target ion has been taken into account. This method is developed within the framework of the independent electron model taking particular care of the representation of the bound continuum target states. Two different approximations have been considered for molecular targets: molecular representation of the bound-state target wavefunction and Bragg's additivity rule. The molecular orbital for targets are described within the framework of the complete neglect of differential overlap (CNDO) method based on the linear combination of atomic orbital (LCAO) approximation. Using the DW method, we have also calculated the K-, Land M-shell electron capture in collisions of bare ions with three noble gases He, Ne, and Ar respectively. Contributions from different molecular orbitals and different shells to the total cross sections (TCS) are studied. The preference of electron capture occurs in accordance as the binding energy of the active electron in molecular orbital and atomic shell. The maximum contributions to TCS for SC comes from the less bound electrons in repetitive orbitals, whereas the tightly bound electrons dominate the TCS at higher projectile energy regime. Variation of TCS with impact energy are compared with the available experimental observation and other theoretical findings. We find that the present theoretical method is satisfactory in both intermediate and high-energy region for molecules as well as noble gas targets to give reliable outcomes compared to other theoretical methods.

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“…Since the mid-1990s, the Cold Target Recoil Ion Momentum Spectroscopy (COLTRIMS) [4][5][6] technique has provided a kinematically complete insight on collision processes involving photons, ions and electrons. Different theoretical studies such as the classical trajectory Monte-Carlo (CTMC) method [7][8][9][10], the first order Coulomb Born approximation (CB1) [11][12][13][14] and continuum distorted wave-Eikonal initial state (CDW-EIS) [15][16][17][18][19] have been developed to study the electron loss by a fast-bare ion in biological molecule. Two main processes which contribute to the single electron loss from atomic/molecular targets are the electron capture and the electron ionization dominating at low and high impact velocities, respectively.…”

Section: Introductionmentioning

confidence: 99%

Electron-capture Process Induced by Bare Ion Impact on Biological Targets

Samaddar¹,

Purkait²,

Halder³

et al. 2019

JEPE

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Within the framework of independent electron approach, the prior form of boundary corrected continuum intermediate state (BCCIS) approximation is employed to calculate the cross sections for total single electron capture in collision of bare ions (H + , He 2+ and Li 3+ ) with biological molecules in the intermediate to high energy regimes. With a suitable choice of the distorting potential, the boundary condition is satisfied with a proper account of the intermediate continuum states. The cross sections have been calculated from 25 keV/amu to 10 MeV/amu. We have approximated the cross sections for molecular targets by the linear combination of atomic cross sections weighted by the effective occupation electron number. Furthermore, the multi-electronic problem is reduced to a mono-electronic one using a version of the independent electron approximation. A detailed analysis on the contributions from different molecular orbitals to total cross sections is reported. In the present investigation, we observe clearly the importance of the core contribution in the change of slope of the TCS curves. Moreover, analysis has been made on the cross section per target electron resulting in achievement of a 'universal' cross section. However, some negligible discrepancies are observed for the case of the CH 4 molecule. The present computed results in prior from of BCCIS method have been compared with the available theoretical and experimental results. We found that our computed results are in good agreement with the experimental findings.

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Double-differential cross sections for single ionization of simple polyatomic molecules by proton impact

Cited by 12 publications

References 54 publications

Ionization and Electron Capture Cross Sections for Single-Electron Removal from Biological Molecules by Swift Ion

Ionization and Electron Capture Cross Sections for Single-Electron Removal from Biological Molecules by Swift Ion

Single-Capture Cross Sections from Biological Molecules and Noble Gases by Bare Ion Impact

Electron-capture Process Induced by Bare Ion Impact on Biological Targets

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