Multiresolution Approach for Laser-Modified Collisions of Atoms and Ions

Domínguez-Gutiérrez, Fco. Javier; Krstić, Predrag; Cabrera‐Trujillo, R.

doi:10.1016/bs.aiq.2015.03.008

Cited by 3 publications

(8 citation statements)

References 35 publications

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“…is numerically solved by the time-dependent version of the MADNESS [6,7] to obtain the total wave function, Ψ(r, t), which contains, within the stated approximations, the complete information of one-active electron dynamics of the ion-atom collision system [7]. The kinetic energy, T, and the potential energy operators, V, are defined as…”

Section: Theoretical Approachmentioning

confidence: 99%

“…This is considered due to the numerical stability of calculation is quite sensitive to the high-momentum components, i.e. the calculations can become very intensive if gradients of potential are large [6,7]. Therefore, the approach might become inaccurate at very high energies, unless the cut parameter is enough small, this fact limits the calculation at intermediate to high energies.…”

Section: Time Evolution Charge Transfer Probabilities and Crosssectionsmentioning

confidence: 99%

“…There are two main elements of our approach: spatial representation of the wave function, for which we use MADNESS, and approximation of the time evolution expressed by the Chin-Chan [3] time-evolution operator, resulting in the time-dependent, TD-MADNESS. The MADNESS has been used for computation on general polyatomic systems without basis set error [2], the accurate excitation energies of H 2 , N 2 , H 2 O, and C 2 H 4 [4,5], while TD-MADNESS has been applied to the photo-ionization for some atoms and molecules (H, He + , + H 2 ) [6], and for the analysis of the laser-assisted charge transfer process in ion and excited atom collisions [7].…”

Section: Introductionmentioning

confidence: 99%

“…As a consequence of this approximation, the approach may become inaccurate in the limit of high collision energies, unless the cut of the approximation is made at very small distances form the singularity. At the lower collision energies, the accuracy is limited by the straight-trajectory approximation to the energies larger than 1 keV, though this limit can be extended toward lower energies by going beyond the straight-line approximation as was done in [7].…”

Section: Introductionmentioning

confidence: 99%

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Charge transfer in collisions of H⁺with Li (1s²2s, 2p_z): TD-MADNESS approach

Domínguez-Gutiérrez¹,

Krstić²

2016

J. Phys. B: At. Mol. Opt. Phys.

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In this work we carry out a study of the single-electron charge transfer process for H+ collisions with atomic neutral lithium, in its ground and first excited state, at 1−25 keV amu−1. For this, we solve numerically the time dependent Schrödinger equation to the defined accuracy by using a multi-resolution adaptive approach, thus removing the uncertainties connected to a basis size and spatial and temporal numeric mesh size. We approximate the atomic lithium target by a single electron model in a frozen-core pseudo-potential while the projectile follows a straight line trajectory. Within these approximations we report new benchmark data for charge transfer cross sections to n = 2, and 3 states of hydrogen from 1s22s and 1s22pz of Li. Available theoretical and experimental data in the literature are in reasonable agreement with our results.

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Section: Theoretical Approachmentioning

confidence: 99%

Section: Time Evolution Charge Transfer Probabilities and Crosssectionsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Charge transfer in collisions of H⁺with Li (1s²2s, 2p_z): TD-MADNESS approach

Domínguez-Gutiérrez¹,

Krstić²

2016

J. Phys. B: At. Mol. Opt. Phys.

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“…The electronic Hamiltonian, H, is defined by equation (1). The average of H T over the electronic states defines the 'dressed' Hamiltonian as follows [23][24][25]…”

Section: Theorymentioning

confidence: 99%

Total and state-to-state electron capture and excitation cross-sections for Li⁺, Be${}^{2+},$ and ${{\rm{B}}}^{3+}$ colliding with ${\rm{H}}(1\;s)$ at low-to-intermediate energies

Domínguez-Gutiérrez

Cabrera‐Trujillo

2015

J. Phys. B: At. Mol. Opt. Phys.

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The electron capture process plays an important role as a diagnostic tool for measuring the temperature, plasma rotation, and impurity densities of plasma in tokamaks. In this work we report the electron capture and excitation cross-sections for Li+, Be and colliding with atomic hydrogen in the collision energy range 0.25–25 keV/amu. For this, we solve numerically the time dependent Schrödinger equation by using a finite difference approach. We model the ion projectile interaction with the target using a pseudopotential obtained within a Hartree–Fock method. We use classical trajectories, obtained self-consistently, for the projectile at collision energies lower than 2 keV/amu and a straight line trajectory at high collision energies. We report new results for the total, and 4 state projectile electron capture cross-section, as well as the n = 2-state target excitation cross-section. We find a good agreement between our cross-section results when compared with available theoretical and experimental data found in the literature. Finally, we find that the electron capture probability, as a function of the impact parameter, shows Stückelberg oscillations at low collision energies for the n = 2 of Be+ and n = 3 of in the radial range (large impact parameters). Our results assess the validity of the adiabatic basis set at low collision energies and confirm the use of a finite difference method as an accurate approach to study a time-dependent process in charge exchange collisions. A discussion of our results is provided.

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Nascent Rotational Distribution of CO₂(00⁰0,J) States from Collisions with Highly Vibrationally Excited Na₂

Zhao,

Yu,

Wang

et al. 2024

Acta Phys. Pol. A

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Multiresolution Approach for Laser-Modified Collisions of Atoms and Ions

Cited by 3 publications

References 35 publications

Charge transfer in collisions of H⁺with Li (1s²2s, 2p_z): TD-MADNESS approach

Charge transfer in collisions of H⁺with Li (1s²2s, 2p_z): TD-MADNESS approach

Total and state-to-state electron capture and excitation cross-sections for Li⁺, Be${}^{2+},$ and ${{\rm{B}}}^{3+}$ colliding with ${\rm{H}}(1\;s)$ at low-to-intermediate energies

Nascent Rotational Distribution of CO₂(00⁰0,J) States from Collisions with Highly Vibrationally Excited Na₂

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Multiresolution Approach for Laser-Modified Collisions of Atoms and Ions

Cited by 3 publications

References 35 publications

Charge transfer in collisions of H+with Li (1s22s, 2pz): TD-MADNESS approach

Charge transfer in collisions of H+with Li (1s22s, 2pz): TD-MADNESS approach

Total and state-to-state electron capture and excitation cross-sections for Li+, Be${}^{2+},$ and ${{\rm{B}}}^{3+}$ colliding with ${\rm{H}}(1\;s)$ at low-to-intermediate energies

Nascent Rotational Distribution of CO2(0000,J) States from Collisions with Highly Vibrationally Excited Na2

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Charge transfer in collisions of H⁺with Li (1s²2s, 2p_z): TD-MADNESS approach

Charge transfer in collisions of H⁺with Li (1s²2s, 2p_z): TD-MADNESS approach

Total and state-to-state electron capture and excitation cross-sections for Li⁺, Be${}^{2+},$ and ${{\rm{B}}}^{3+}$ colliding with ${\rm{H}}(1\;s)$ at low-to-intermediate energies

Nascent Rotational Distribution of CO₂(00⁰0,J) States from Collisions with Highly Vibrationally Excited Na₂