Dyson orbitals from electron momentum spectroscopy

Nicholson, Roy; McCarthy, Ian E.; Weyrich, Wolf

doi:10.1088/0953-4075/32/15/317

Cited by 32 publications

(30 citation statements)

References 13 publications

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“…After conclusion of the pulse at XUV , the Hamiltonian of the entire system eventually separates into channel Hamiltonians the Schrödinger equation for the residual complex. The one-electron state | ⟩ emerging from the interacting electron system can be viewed as a Dyson orbital (see e.g., Nicholson et al, 1999;Ortiz, 2003, and references therein). The energy of the entire system is accordingly given by = + .…”

Section: )mentioning

confidence: 99%

Attosecond chronoscopy of photoemission

2015

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Recent advances in the generation of well characterized sub-femtosecond laser pulses have opened up unpredicted opportunities for the real-time observation of ultrafast electronic dynamics in matter. Such attosecond chronoscopy allows a novel look at a wide range of fundamental photophysical and photochemical processes in the time domain, including Auger and autoionization processes, photoemission from atoms, molecules, and surfaces, complementing conventional energy-domain spectroscopy. Attosecond chronoscopy raises fundamental conceptual and theoretical questions as which novel information becomes accessible and which dynamical processes can be controlled and steered. These questions are currently a matter of lively debate which we address in this review. We will focus on one prototypical case, the chronoscopy of the photoelectric effect by attosecond streaking. Is photoionization instantaneous or is there a finite response time of the electronic wavefunction to the photoabsorption event? Answers to this question turn out to be far more complex and multi-faceted than initially thought. They touch upon fundamental issues of time and time delay as observables in quantum theory. We review recent progress of our understanding of time-resolved photoemission from atoms, molecules, and solids. We will highlight the unresolved and open questions and we point to future directions aiming at the observation and control of electronic motion in more complex nanoscale structures and in condensed matter.

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Section: )mentioning

confidence: 99%

Attosecond chronoscopy of photoemission

2015

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“…[45]) and recently elaborated and applied extensively by Jayatilaka and Grimwood [46][47][48][49][50][51]. One may also add to this list the scattered literature in which electron scattering data [52] or Compton spectroscopy [53] are employed to supplement Xray diffraction data. This less recognized field of research offers new potentials for experimental verification of the quantum atoms and QDB and their properties; that is, a new kind of ''observation''.…”

Section: A Nonvariational Formulation Of the Qtpos: The Subsystem Hypmentioning

confidence: 99%

The quantum divided basins: A new class of quantum subsystems

Heidar‐Zadeh

Shahbazian

2011

Int J of Quantum Chemistry

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ABSTRACT:The rigorous theory of the quantum divided basins (QDB), the quantum subsystems emerging from the net zero-flux equation, is considered in this article. This framework, the quantum theory of proper open subsystems, is derived from the extension of the quantum theory of atoms in molecules to encompass the new class of quantum subsystems. It is demonstrated that the regional hypervirial theorem and the associated regional observables as well as the subsystem variational procedure are all expressible for the QDB. The history of QDB is briefly reviewed and the bundles, which were introduced by other researchers, are offered as typical examples whereas new examples of QDB (not yet mentioned in literature) are also presented. Based on some model systems as well as the nitrogen molecule, the regional properties and the morphologies of typical QDB are scrutinized. It is also demonstrated that the QDB may be used to study the fine structure of the electron localization and delocalization.

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“…e −ipr is the plane wave. The term e −ipr N−1 i | N g presents the Fourier transform of the position-space Dyson orbital, as is called the Dyson orbital in momentum space [1,26]. The integral d represents the spherical average for the randomly oriented molecules in the gas phase.…”

Section: A Basic Theory Of Emsmentioning

confidence: 99%

Calculation of Dyson orbitals using a symmetry-adapted-cluster configuration-interaction method for electron momentum spectroscopy:N2andH2

2011

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The symmetry-adapted-cluster (SAC) configuration-interaction (CI) theory was introduced to interpret the non-coplanar symmetric (e,2e) results. Dyson orbitals derived from the bench-marked SAC CI general-R method were utilized for computing the electron momentum distributions. The corresponding excitation energies and spectroscopic factors can be used to reproduce the ionization spectra. The implementation was demonstrated by examples of N 2 and H 2 O. The electron momentum distributions calculated using SAC CI method were compared with recent experimental results, as well as the Hartree-Fock and density-functional-theory calculations. The SAC CI method gave the best performance on the description of the experimental momentum distributions. It was found that the electron momentum distributions of Dyson orbitals related to the satellite lines can be notably different from those of their parent orbitals due to the electron correlation in the initial target states. Present work demonstrated that the SAC CI theory is a very useful and accurate tool for interpreting high-resolution electron momentum spectroscopy results.

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Dyson orbitals from electron momentum spectroscopy

Cited by 32 publications

References 13 publications

Attosecond chronoscopy of photoemission

Attosecond chronoscopy of photoemission

The quantum divided basins: A new class of quantum subsystems

Calculation of Dyson orbitals using a symmetry-adapted-cluster configuration-interaction method for electron momentum spectroscopy:N2andH2

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