Erratum: Calculated angular distributions of photoelectrons using the orthogonalized plane-wave approximation

Rabalais, J. W.; Debies, T.; Berkosky, Jeffrey L.; Huang, Jan-Tsyu J.; Ellison, Frank O.

doi:10.1063/1.431035

Cited by 4 publications

(1 citation statement)

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“…That can be easily achieved by choosing the origin as to annihilate the dipole moment ⟨φ α D | d |φ α D ⟩ of the initial orbital . These approaches have been tested in the early days of photoelectron spectroscopy − but then abandoned as they generally produced rather poor results and better approaches became soon available. They have been recently revived, essentially because of the need to compute dipole matrix elements in the context of more elaborate calculations, like time-resolved photoelectron spectroscopy (TRPES) or close coupling approach to the charge migration problem. − A recent comparison with the DFT-Dyson approach on furan has confirmed, however, the rather poor performance of such approaches and the relative minor role of orthogonalization …”

Section: Theoretical Methods For Attosecond Sciencementioning

confidence: 99%

Attosecond Electron Dynamics in Molecules

et al. 2017

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Advances in attosecond science have led to a wealth of important discoveries in atomic, molecular, and solid-state physics and are progressively directing their footsteps toward problems of chemical interest. Relevant technical achievements in the generation and application of extreme-ultraviolet subfemtosecond pulses, the introduction of experimental techniques able to follow in time the electron dynamics in quantum systems, and the development of sophisticated theoretical methods for the interpretation of the outcomes of such experiments have raised a continuous growing interest in attosecond phenomena, as demonstrated by the vast literature on the subject. In this review, after introducing the physical mechanisms at the basis of attosecond pulse generation and attosecond technology and describing the theoretical tools that complement experimental research in this field, we will concentrate on the application of attosecond methods to the investigation of ultrafast processes in molecules, with emphasis in molecules of chemical and biological interest. The measurement and control of electronic motion in complex molecular structures is a formidable challenge, for both theory and experiment, but will indubitably have a tremendous impact on chemistry in the years to come.

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