Nonlinear plasmon response in highly excited metallic clusters

Calvayrac, F.; Reinhard, P.‐G.; Suraud, E.

doi:10.1103/physrevb.52.r17056

Cited by 78 publications

(80 citation statements)

References 2 publications

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“…asborbing strength is deduced from the time evolution of the electronic dipole moment, defined in Eq. (1), by means of spectral analysis [35,36,37]. In Fig.…”

Section: The Ethylene Moleculementioning

confidence: 99%

Frequency dependence of level depletion in Na clusters and in C₂H₄

Vidal

Wang

Dinh

et al. 2010

J. Phys. B: At. Mol. Opt. Phys.

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Abstract. In the framework of time-dependent density-functional theory, we study electron emission from Na clusters and the C 2 H 4 molecule as induced by irradiation with an intense pulse. The collision of a charged projectile on C 2 H 4 is also explored for comparison. We look in particular at the level depletion, i.e. the electron loss in each single-electron level separately. It is found that the distribution of electron loss depends sensitively on the photon frequency. Frequencies close to visible light remove electrons exclusively from the vicinity of the Fermi surface while light in the higher UV range (up to 20 eV for Na clusters and up to 136 eV for C 2 H 4 ) depletes all levels about equally strong, down to the deepest bound valence state.Confidential: not for distribution.

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“…asborbing strength is deduced from the time evolution of the electronic dipole moment, defined in Eq. (1), by means of spectral analysis [35,36,37]. In Fig.…”

Section: The Ethylene Moleculementioning

confidence: 99%

Frequency dependence of level depletion in Na clusters and in C₂H₄

Vidal

Wang

Dinh

et al. 2010

J. Phys. B: At. Mol. Opt. Phys.

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“…The spectral distribution of multipole strength is computed from TDLDA in the time domain using spectral analysis following the prescription of [49,50]. For the example of dipole strength, this proceeds as follows.…”

Section: Observablesmentioning

confidence: 99%

On the analysis of photo-electron spectra

et al. 2015

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We analyze Photo-Electron Spectra (PES) for a variety of excitation mechanisms from a simple mono-frequency laser pulse to involved combination of pulses as used, e.g., in attosecond experiments. In the case of simple pulses, the peaks in PES reflect the occupied single-particle levels in combination with the given laser frequency. This usual, simple rule may badly fail in the case of excitation pulses with mixed frequencies and if resonant modes of the system are significantly excited. We thus develop an extension of the usual rule to cover all possible excitation scenarios, including mixed frequencies in the attosecond regime. We find that the spectral distributions of dipole, monopole and quadrupole power for the given excitation taken together and properly shifted by the single-particle energies provide a pertinent picture of the PES in all situations. This leads to the derivation of a generalized relation allowing to understand photo-electron yields even in complex experimental setups.

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“…In the DFT framework, one may also mention schemes expressed in real space 3D grids [42][43][44][45], combinations of plane waves with localized function (Augmented Plane Waves or APW scheme), or wavelets [46] which are promising for spatial multi-scale representations. In the WF approach the one-electron basis set determines the number of molecular virtual orbitals and the spatial range of possible excitations.…”

Section: Epj Web Of Conferencesmentioning

confidence: 99%

Perspectives from Quantum Chemistry for molecules and nanograins with astrophysical Interest

Spiegelman

Rapacioli

Simon

2011

EPJ Web of Conferences

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Abstract. Quantum Chemistry methods offer powerful tools for the computation of various properties of molecules and nanoparticles or clusters such as structure, thermodynamics, infrared and electronic spectroscopy, in some cases on a routine basis. However, neither the accuracy nor the applicability of the various methods are uniform, and may depend strongly on the nature and the size of the compounds and the desired properties. The ab initio methods for approaching electronic structure can be classified into two classes. The first class includes wavefunction-based methods, namely post-Hartree Fock schemes in the framework of Configuration Interaction or Coupled Cluster schemes which can now be used for molecules containing up to a few ten atoms (for single geometry calculations) and are likely to provide accurate results whenever applicable. The second class of methods is that of density-based methods which cover systems between a few tens up to a few hundreds of atoms. It is often of broad applicability and satisfactorily accurate in many cases. For more extended systems or extensive calculations, tight-binding type approximations or evolved force-fields (based on bond-orders for instance) are also quite promising. In this overview, we will briefly remind the basics of standard Quantum Chemistry methods and provide a survey of present trends which should be of interest for astrochemistry simulations at the atomic scale.

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Nonlinear plasmon response in highly excited metallic clusters

Cited by 78 publications

References 2 publications

Frequency dependence of level depletion in Na clusters and in C₂H₄

Frequency dependence of level depletion in Na clusters and in C₂H₄

On the analysis of photo-electron spectra

Perspectives from Quantum Chemistry for molecules and nanograins with astrophysical Interest

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Nonlinear plasmon response in highly excited metallic clusters

Cited by 78 publications

References 2 publications

Frequency dependence of level depletion in Na clusters and in C2H4

Frequency dependence of level depletion in Na clusters and in C2H4

On the analysis of photo-electron spectra

Perspectives from Quantum Chemistry for molecules and nanograins with astrophysical Interest

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Frequency dependence of level depletion in Na clusters and in C₂H₄

Frequency dependence of level depletion in Na clusters and in C₂H₄