Electron-molecule scattering and molecular photoionization using the multiple-scattering method

Dill, Dan; Dehmer, Joseph L.

doi:10.1063/1.1681947

Cited by 546 publications

(208 citation statements)

References 41 publications

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“…None of the l components in the 2 u →k g channel have appreciable dipole strength near threshold. There is apparently something unusual about the 2 u →k g channel, as previous theoretical results 78,90,91 also show poor agreement with other types of experimental data in this threshold region. All previous theoretical treatments have underestimated the dipole strength for the k g channel near threshold.…”

Section: B Partial Wave Composition and Interpretation Of The Rotatimentioning

confidence: 55%

Photoion rotational distributions from near-threshold to deep in the continuum

Poliakoff

Choi

Rao

et al. 1995

The Journal of Chemical Physics

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We present the first measurements of ion rotational distributions for photoionization over an extended range ͓0рE K р200 eV for N 2 ͑2 u Ϫ1 ͒ and 3рE K р125 eV for CO ͑4 Ϫ1 ͔͒. The N 2 ion rotational distributions are seen to change dramatically over this energy range, indicating that characteristically molecular behavior of the photoelectron persists far from ionization threshold. In addition, the N 2 and CO results show a strikingly different dependence on energy. Although differences are expected due to the absence of a center of symmetry in CO, detailed calculations reveal that this behavior arises from the presence of Cooper minima in the 2 u →k g continuum in the case of N 2 and from an f -wave shape resonance in the 4 →k channel in CO. Agreement between measured and calculated ion rotational distributions is excellent. The N 2 results are also compared with electron bombardment ionization data. This comparison demonstrates that previous interpretations of electron bombardment data are prone to errors.

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Section: B Partial Wave Composition and Interpretation Of The Rotatimentioning

confidence: 55%

Photoion rotational distributions from near-threshold to deep in the continuum

Poliakoff

Choi

Rao

et al. 1995

The Journal of Chemical Physics

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“…In the CMS calculation, 71,72 to overcome difficulties arising from (i) the many degrees of freedom of electronic and nuclear motions and (ii) the nonspherical molecular field in the polyatomic molecule, the molecular configuration space is partitioned into three regions, each with a corresponding potential. Those regions are the atomic spheres (region I), the interstitial region (region II), and the spherical region surrounding the whole molecule (region III).…”

Section: Theoretical Outline and Numerical Analysismentioning

confidence: 99%

A comprehensive and comparative study of elastic electron scattering from OCS and CS2 in the energy region from 1.2 to 200 eV

Murai

Ishijima

Mitsumura

et al. 2013

The Journal of Chemical Physics

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We report absolute differential cross sections (DCSs) for elastic electron scattering from OCS (carbonyl sulphide) and CS 2 (carbon disulphide) in the impact energy range of 1.2-200 eV and for scattering angles from 10 • to 150 • . Above 10 eV, the angular distributions are found to agree quite well with our present calculations using two semi-phenomenological theoretical approaches. One employs the independent-atom model with the screening-corrected additivity rule (IAM-SCAR), while the other uses the continuum-multiple-scattering method in conjunction with a parameterfree exchange-polarization approximation. Since OCS is a polar molecule, further dipole-induced rotational excitation cross sections have been calculated in the framework of the first Born approximation and incoherently added to the IAM-SCAR results. In comparison with the calculated DCS for the S atom, atomic-like behavior for the angular distributions in both the OCS and CS 2 scattering systems is observed. Integrated elastic cross sections are obtained by extrapolating the experimental measurements, with the aid of the theoretical calculations, for those scattering angles below 10 • and above 150 • . These values are then compared with the available total cross sections.

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“…Contributions to this field which employ methods containing a11 the essential information (e.g., molecular symmetry, proper asymptotic boundary conditions, phase shifts, orthogonality to core levels, etc.) include the work on H, [37] and N, [65] using a single-center-expansion representation, Dill's analysis [39] of the effect of rotational autoionization in H, using multichannel quantum defect theory, recent work [40, 70-721 on NZ and CO using the multiple-scattering model [73], and studies [74, 751 of the dependence of P on rotational and vibrational states in H, using an ellipsoidal coordinate system. The multiple-scattering work has recently been generalized to molecules of arbitrary symmetry and will be useful for extensive and realistic mapping of asymmetry parameters for molecules of arbitrary complexity and over broad energy ranges.…”

Section: Photoelectron Angular Distributionsmentioning

confidence: 99%

Angular Distributions of Photoelectrons and Non-Thermal Photoions From Atoms and Molecules

Dehmer

1978

J. Phys. Colloques

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RCsumC. -Durant ces dix dernikres annees, les distributions angulaires des photo-electrons ont kte exclusivement utilisees pour ktudier la dynamique des processus de photoionisation dans les atomes et les molkcules. Nous faisons le point, ici, sur les resultats les plus marquants survenus depuis la dernikre Conference Internationale d'il y a trois ans. De loin, les plus grands progres ont eu lieu pour les atomes, l'interst s'etant plus particulierement port6 sur les points suivants : amelioration de l'ordre zero (Hartree-Slater, Cooper-Zare), comprehension du paramttre d'asymetrie P(&), en considerant les correlations Clectroniques, les effets relativistes, les interactions de 1'Ctat final anisotropique. L'etude des gaz rares a bkneficik de l'ttroite coordination entre l'expkrience et la theorie, tandis que l'etude des atomes non spheriques est restee principalement theorique, mis a part les mesures rkcentes sur I'oxygkne atomique. Les etudes de distribution angulaire sur les molecules sont encore a un stade t r b preliminaire de dtveloppement. Ceci resulte du manque de mesures en fonction de la longueur d'onde, mises a part les experiences trks recentes, et l'absence de methodes theoriques pratiques et realistes. Le point sera donc fait sur ce travail recent, ainsi que sur une selection de travaux plus anciens concernant les molCcules et obtenus avec des raies de resonance. De plus, une nouvelle serie d'ktudes angulaires sur les molCcules -la distribution angulaire des ions non thermiques formes par photoionisation dissociative -fournissant des informations complCmentaires sur les mesures correspondantes avec des photoClectrons, sera presentee.Abstract. -During the last ten years, photoelectron angular distributions have been used extensively to study the dynamics of the photoionization process in atoms and molecules. Here we review some major advances in this body of work, with special emphasis on results emerging since the last Conference on VUV Radiation Physics three years ago. By far the greatest progress has occurred for atoms, where interest is focussed on improving our zero-order (Hartree-Slater, Cooper-Zare) understanding of the asymmetry parameter P(&), by considering electron correlations, relativistic effects, and anisotropic final-state interactions. The study of the rare gases has benefitted from extensive coordination between experiment and theory, whereas work on non-spherical atoms has been mainly theoretical, with the only measurements being performed very recently on atomic oxygen. Angular distribution studies on molecules are in a much earlier stage of development. Progress has been impeded by the lack of practical, realistic theoretical methods and wavelength-dependent measurements, both of which are becoming available only now. This recent work, together with selected topics from earlier resonance-line work on molecules will be reviewed. In addition, a new class of angle-dependent stud~es of molecules will be discussed -the angular distribution of non-thermal ions formed by dissociative ph...

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Electron-molecule scattering and molecular photoionization using the multiple-scattering method

Cited by 546 publications

References 41 publications

Photoion rotational distributions from near-threshold to deep in the continuum

Photoion rotational distributions from near-threshold to deep in the continuum

A comprehensive and comparative study of elastic electron scattering from OCS and CS2 in the energy region from 1.2 to 200 eV

Angular Distributions of Photoelectrons and Non-Thermal Photoions From Atoms and Molecules

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