Double photoionization of aligned molecular hydrogen

Vanroose, Wim; Horner, D. A.; Martín, Fernando; Rescigno, T. N.; McCurdy, C. William

doi:10.1103/physreva.74.052702

Cited by 106 publications

(161 citation statements)

References 39 publications

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“…The method has been successful in providing essentially exact results for both electron-impact ionization of atomic hydrogen [33] and double photoionization of atomic [25] and molecular two-electron targets [27][28][29]. Here we present the main broad strokes that illustrate how ECS successfully deals with problems invovling more than one continuum electron.…”

Section: Theoretical Framework a Exterior Complex Scaling Approachmentioning

confidence: 99%

“…Following the prescription for practical calculation of the double photoionization amplitude utilized for both atomic helium [25] and molecular hydrogen [29], we seek to decompose the full scattered wave into angular components on a radial grid in order to implement exterior complex scaling. Thus, the scattered wave function that solves Eq.…”

Section: B Formulation Of the Atomic Double Photoionization Problemmentioning

confidence: 99%

“…Since the optical absorbtion is described by a sum of one-body dipole operators, any theoretical approach that treats the electrons in an independent particle model will produce inaccurate results for the amplitudes connecting the initial and final states. Such considerations have been previously addressed using different theoretical approaches for both atomic [12][13][14][15][16][17][18][19][20][21][22][23][24][25] and molecular [26][27][28][29] two-electron targets, with varying degrees of electron correlation being included in the initial and/or final states.…”

Section: Introductionmentioning

confidence: 99%

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Single and triple differential cross sections for double photoionization ofH−

et al. 2007

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The hydride anion H − would not be bound in the absence of electron correlation. Electron correlation drives the double photoionization process and, thus should impact double photoionization results most strongly for H − . We present fully differential cross sections for the three-body breakup of H − by single photon absorption. The absolute triple-differential and single-differential cross sections were yielded by ab initio calculations making use of exterior complex scaling within a discrete variable representation partial wave basis. Results calculated at photon energies of 18eV and 30eV are compared with reported cross sections for helium calculated at 20eV above the double ionization threshold. These comparisons show a clear signature of initial state correlation that differentiate the He and H − cases.

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Section: Theoretical Framework a Exterior Complex Scaling Approachmentioning

confidence: 99%

Section: B Formulation Of the Atomic Double Photoionization Problemmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Single and triple differential cross sections for double photoionization ofH−

et al. 2007

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“…The experimental results showed that this essentially classical interpretation of nuclear motion (consistent with the "reflection principle" for photodissociation spectra) is valid for the conditions of the experiment. Recent theoretical work has reported the first complete numerical solution of the Schrödinger equation for the double photoionization of H 2 [25,47,[74][75][76]. The results have shown that the distribution of photoelectrons emitted from aligned molecules reflects electron correlation effects that are purely molecular in origin.…”

Section: Double Photoionization Of Hmentioning

confidence: 99%

“…Why does the fully differential cross section rotate with changing internuclear distance? This cross section is a coherent sum of contributions to the double photoionization amplitude from the components of the polarization parallel (Σ u ) and perpendicular (Π u ) to the molecular axis [75]. As shown in [76], the parallel contribution has a minimum in the range of internuclear distances being sampled by the experiment, while the perpendicular one decreases monotonically as R increases.…”

Section: Double Photoionization Of Hmentioning

confidence: 99%

Molecular ionization and dissociation using synchrotron radiation and ultrashort laser pulses

Martín¹

2007

J. Phys.: Conf. Ser.

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Abstract. An overview of recent theoretical progress to accurately describe non dissociative and dissociative ionization of molecules exposed to synchrotron radiation and ultrashort uv/xuv laser pulses is presented. The success of recent theoretical approaches rely on their ability to account for both the electronic and nuclear degrees of freedom. This is essential to describe the delicate interplay between the electronic motion and the molecule's vibration, especially in those cases where ionization occurs in a time scale comparable to that of the vibrational motion. Some of the most successful applications and the new physics that has emerged by comparing with recent kinematically complete experiments on H2 and D2 will be discussed. IntroductionMolecular ionization is one of the most elementary processes that occurs in the upper atmosphere [1] and in interstellar molecular clouds [2]. Since in molecules the absorbed energy is shared between electronic and nuclear degrees of freedom, the remaining molecular ion can be left in an excited vibrational or dissociative state. This is at variance with atomic ionization where the energy is entirely absorbed by the electrons. In early pictures of molecular ionization, the nuclear motion was either ignored or described in terms of the Franck-Condon (FC) approximation, in which electronic processes occurring at the equilibrium position of the nuclei are weighted by the squared overlap between the initial and final vibrational states. With the advent of kinematically complete experiments [3,4], in which the momenta of all charged particles is determined, new phenomena with an intrinsic molecular origin have been discovered (see, e.g., [5][6][7][8][9][10][11]). Also the above pictures have been revealed to be incomplete. In this manuscript, the important role of nuclear dynamics in molecular ionization produced by synchrotron radiation and ultrashort pulses will be demonstrated by means of recent ab initio theoretical calculations that account for all electronic and vibrational degrees of freedom.In particular, recent results for electron angular distributions from fixed-in-space molecules will be analyzed and compared with kinematically complete photoionization experiments using synchrotron radiation. These include double and single photoionization of H 2 (D 2 ). The range of excess photon energies considered goes from a few to several hundreds of eV. Also, multiphoton ionization of molecules by vuv ultrashort pulses will be discussed. In particular, the new physics that can be expected by varying pulse duration and intensity will be analyzed.

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