Theory of Dissociative Attachment

O'Malley, Thomas F.

doi:10.1103/physrev.150.14

Cited by 522 publications

(227 citation statements)

References 32 publications

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“…2) for the resonance and virtual states, both extrapolated to equilibrium geometry. A wavepacket (initial vibrational wave function multiplied by √ Γ [33][34][35] ) was placed on the resonance curve at R e and propagated using the calculated Euclidean norm of the full nonadiabatic (derivative) coupling matrix, ||h|| [36][37][38], to connect the resonance and virtual states. The results shown in Fig.…”

Section: Resultsmentioning

confidence: 99%

Dynamics of dissociative electron attachment to ammonia

et al. 2016

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Ab initio theoretical studies and momentum imaging experiments are combined to provide a consistent picture of the dynamics of dissociative electron attachment (DEA) to ammonia through its 5.5 eV and 10.5 eV resonance channels. The present study clarifies the character and symmetry of the anion states involved and the dynamics that leads to the observed fragment ion channels, their branching ratios and angular distributions.

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Section: Resultsmentioning

confidence: 99%

Dynamics of dissociative electron attachment to ammonia

et al. 2016

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“…The theory, which is formulated entirely within the Born-Oppenheimer approximation, has been derived in several ways [22][23][24] to arive at a nuclear wave equation that governs the nuclear dynamics associated with the resonance state.…”

Section: A Local and Nonlocal Potential Modelsmentioning

confidence: 99%

“…(22). To do so using the ECS transformation, we first write the radial scattering solution as the sum of a free function ψ 0 and a scattering wave, ψ sc ,…”

Section: B Numerical Solution Of the Schrödinger Equationmentioning

confidence: 99%

Nonlocal model of dissociative electron attachment and vibrational excitation of NO

et al. 2005

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We present the results of an ab initio study of elastic scattering and vibrational excitation of NO by electron impact in the low-energy (0-2 eV) region where the cross sections are dominated by resonance contributions. The 3 Σ − , 1 ∆ and 1 Σ + NO − resonance lifetimes are taken from our earlier study [Phys. Rev. A 69, 062711 (2004)], but the resonance energies used here are obtained from new configuration-interaction studies. Here we employ a more elaborate nonlocal treatment of the nuclear dynamics, which is found to remedy the principal deficiences of the local complex potential model we employed in our earlier study, and gives cross sections in better agreement with the most recent experiments. We also present cross sections for dissociative electron attachment to NO leading to ground state products, O − ( 2 P) + N( 4 S). The calculations show that, while the peak cross sections starting from NO in its ground vibrational state are very small (∼ 10 −20 cm 2 ), the cross sections are extremely sensitive to vibrational excitation of the target and should be readily observable for target NO molecules excited to ν = 10 and above.

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“…Among the earliest work in this area is that of O'Malley [1,2] and O'Malley and Taylor [3] on dissociative attachment based on the idea of Feshbach partitioning of the electron scattering wave function into resonant and nonresonant parts. Herzenberg and coworkers [4][5][6] later applied these ideas to vibrational excitation and developed the local complex potential model that is generally known as the "boomerang model" in this context and that has been widely applied.…”

Section: Introductionmentioning

confidence: 99%

Numerically solvable model for resonant collisions of electrons with diatomic molecules

2006

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We describe a simple model for electron-molecule collisions that has one nuclear and one electronic degree of freedom and that can be solved to arbitrarily high precision, without making the BornOppenheimer approximation, by employing a combination of the exterior complex scaling method and a finite-element implementation of the discrete variable representation. We compare exact cross sections for vibrational excitation and dissociative attachment with results obtained using the local complex potential approximation as commonly applied in the "boomerang" model, and suggest how this two-dimensional model can be used to test the underpinnings of contemporary nonlocal approximations to resonant collisions.

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Theory of Dissociative Attachment

Cited by 522 publications

References 32 publications

Dynamics of dissociative electron attachment to ammonia

Dynamics of dissociative electron attachment to ammonia

Nonlocal model of dissociative electron attachment and vibrational excitation of NO

Numerically solvable model for resonant collisions of electrons with diatomic molecules

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