Theoretical Calculation of Electronic Stopping Power of Water Vapor by Proton Impact

Olivera, G.; Rivarola, R. D.; Fainstein, P D; Mártínez, A E

doi:10.2307/3579265

Cited by 43 publications

(25 citation statements)

References 26 publications

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“…The CDW-EIS model is the first order of a distorted-wave series and contains higher-order terms of the Born series. It has been shown therefore to be in much better agreement with experiments at intermediate impact energies where first-order theories largely overestimate the experimental data [6]. The present approach is seen to be in very good agreement at high projectile energies, whereas it overestimates the total cross sections by a factor of 2 at the lowest energies considered.…”

Section: Resultssupporting

confidence: 66%

“…Therefore, benchmark calculations for heavy particle impact on water molecules at present rely on first-order perturbation theories in combination with a single-electron, single-center pseudo-molecular description of the electronic orbitals of the H 2 O molecule (see [1] and references within). Classical Trajectory Monte Carlo methods [4,5], as well as distorted wave perturbation theories [6,7], have also been carried through. Recently, the first time-dependent quantum mechanical nonperturbative treatment of p-H 2 O collisions was carried out as well [8].…”

Section: Introductionmentioning

confidence: 99%

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Ionization of water molecules by fast charged projectiles

et al. 2011

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Single-ionization cross sections of water molecules colliding with fast protons are calculated from lowest-order perturbation theory by taking all electrons and molecular orientations consistently into account. Explicit analytical formulas based on the peaking approximation are obtained for differential ionization cross sections with the partial contribution from the various electron orbitals accounted for. The results, which are in very good agreement with total and partial cross sections at high electron and projectile energies, display a strong variation on molecular orientation and molecular orbitals.

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Section: Resultssupporting

confidence: 66%

Section: Introductionmentioning

confidence: 99%

Ionization of water molecules by fast charged projectiles

et al. 2011

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“…The interaction of charged particles with simple molecules is one of the most important topics in molecular physics. In particular, collisions of biological molecules with ions are of fundamental importance not only in physics and astronomy [1][2][3] but also in biology and medicine [4,5]. In recent years, there has been a substantial development in the field of hadron therapy using protons or fast heavy ions.…”

Section: Introductionmentioning

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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Theoretical Calculation of Electronic Stopping Power of Water Vapor by Proton Impact

Cited by 43 publications

References 26 publications

Ionization of water molecules by fast charged projectiles

Ionization of water molecules by fast charged projectiles

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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