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Atomic and Molecular Clusters papers — page 51

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Comment on "Density functional theory study of some structural and energetic properties of small lithium clusters" [J. Chem. Phys. 105, 9933 (1996)]
The Ionization Potentials of small LiN clusters are calculated with a Shell Correction Method. They are used to illustrate that, within the jellium approximation, deformed cluster shapes provide an…
Constantine Yannouleas, Uzi LandmanJun 10, 1999
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Structure of T- and S-matrices in unphysical sheets and resonances in three-body systems
Algorithm, based on explicit representations for the analytic continuation of Faddeev components of the three-body T-matrix in unphysical energy sheets, is employed to study mechanism of…
A. K. Motovilov, E. A. KolganovaJun 10, 1999
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Electronic entropy, shell structure, and size-evolutionary patterns of metal clusters
We show that electronic-entropy effects in the size-evolutionary patterns of relatively small (as small as 20 atoms), simple-metal clusters become prominent already at moderate temperatures. Detailed…
Constantine Yannouleas, Uzi LandmanJun 2, 1999
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Alternative sets of hyperspherical harmonics: Satisfying cusp conditions through frame transformations
By extending the concept of Euler-angle rotations to more than three dimensions, we develop the systematics under rotations in higher-dimensional space for a novel set of hyperspherical harmonics.…
T. A. Heim, D. GreenMay 27, 1999
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Geometry and symmetries of multi-particle systems
The quantum dynamical evolution of atomic and molecular aggregates, from their compact to their fragmented states, is parametrized by a single collective radial parameter. Treating all the remaining…
U. Fano, D. Green, J. L. Bohn et al.May 27, 1999
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High-quality variational wave functions for small 4He clusters
We report a variational calculation of ground state energies and radii for 4HeN droplets (3 ≤ N ≤ 40), using the atom-atom interaction HFD-B(HE). The trial wave function has a simple…
R. Guardiola, M. Portesi, J. NavarroApr 20, 1999
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A Variety of Giant Resonances in Metal Clusters
Multipole electric and magnetic giant resonances in metal clusters are reviewed and compared with their counterparts in atomic nuclei. The main attention is paid to E1 resonance (dipole plasmon).
V. O. Nesterenko, W. Kleinig, F. F. de Souza CruzApr 19, 1999
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Orbital Magnetic Dipole Mode in Deformed Clusters: A Fully Microscopic Analysis
The orbital M1 collective mode predicted for deformed clusters in a schematic model is studied in a self-consistent random-phase-approximation approach which fully exploits the shell structure of the…
V. O. Nesterenko, W. Kleinig, F. F. de Souza Cruz et al.Mar 30, 1999
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Underthreshold resonances in three-particle molecular systems
To determine the lifetimes of Efimov states of negative two-atomic ions, the problem of resonance scattering of a light particle on a pair of identical particles has been considered. An analytic…
F. M. Pen'kovMar 30, 1999
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Optical response of small silver clusters
The time-dependent local density approximation is applied to the optical response of the silver clusters, Ag2, Ag3, Ag8 and Ag9+. The calculation includes all the electrons beyond the…
K. Yabana, G. F. BertschMar 25, 1999
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Noncollinear magnetic ordering in small Chromium Clusters
We investigate noncollinear effects in antiferromagnetically coupled clusters using the general, rotationally invariant form of local spin-density theory. The coupling to the electronic degrees of…
C. Kohl, G. F. BertschFeb 18, 1999
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Dissociative Autoionization in (1+2)-photon Above Threshold Excitation of H2 Molecules
We have theoretically studied the effect of dissociative autoionization on the photoelectron energy spectrum in (1+2)-photon above threshold ionization(ATI) of H2 molecules. We have considered…
Krishna Rai Dastidar, Ratan Kumar DasFeb 10, 1999
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How harmonic is dipole resonance of metal clusters?
We discuss the degree of anharmonicity of dipole plasmon resonances in metal clusters. We employ the time-dependent variational principle and show that the relative shift of the second phonon scales…
K. HaginoJan 13, 1999
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Cluster ionization via two-plasmon excitation
We calculate the two-photon ionization of clusters for photon energies near the surface plasmon resonance. The results are expressed in terms of the ionization rate of a double plasmon excitation,…
G. F. Bertsch, N. Van Giai, N. Vinh MauJan 9, 1999
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Sum Rules for Multi-Photon Spectroscopy of Ions in Finite Symmetry
Models describing one- and two-photon transitions for ions in crystalline environments are unified and extended to the case of parity-allowed and parity- forbidden p-photon transitions. The number of…
M. Kibler, M. DaoudNov 18, 1998
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Symmetry Adaptation and Two-Photon Spectroscopy of Ions in Molecular or Solid-State Finite Symmetry
Finite symmetry adaptation techniques are applied to the determination of the intensity strength of two-photon transitions for ions with one partly-filled shell nl in crystalline environments of…
M. Kibler, M. DaoudNov 18, 1998
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Two-Photon Laser Spectroscopy of Transition Ions in Crystals: Inter- Configurational Transitions
Symmetry adaptation techniques are applied to the determination of the intensity of two-photon absorption transitions, between Stark levels of configurations with opposite parities, for transition…
M. Daoud, M. KiblerNov 18, 1998
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Symmetry Adaptation in Two-Photon Spectroscopy
Symmetry adaptation techniques are applied to the determination of the intensity of two-photon transitions for transition ions in finite symmetry environments. We treat the case of…
M. KiblerNov 18, 1998
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Prismane C8: A New Form of Carbon?
Our numerical calculations on small carbon clusters point to the existence of a metastable three-dimensional eight-atom cluster C8 which has a shape of a six-atom triangular prism with two excess…
Leonid A. Openov, Vladimir F. ElesinNov 13, 1998
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Symmetry Adaptation Techniques in n-Photon Absorption Spectroscopy
We present some recent progress achieved in the application of symmetry adaptation techniques to n-photon absorption spectroscopy of rare earth ions in finite symmetry. More specifically, this work…
M. Daoud, M. KiblerOct 27, 1998
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Multi-Photon Laser Spectroscopy of Transition Ions in Crystals: Recent Progress in the Use of Symmetry Considerations
The role of symmetry adaptation techniques in multi-photon spectroscopy of partly-filled shell ions in crystals is briefly reviewed. This leads to an intensity formula which is discussed from a…
M. KiblerOct 26, 1998
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Two-Photon Spectroscopy of Transition-Metal Ions in Cubical Symmetry
Symmetry adaptation techniques are applied to the determination of intensities of intra-configurational two-photon transitions for transition-metal ions in cubical symmetry. This leads to a simple…
M. Daoud, M. KiblerOct 26, 1998
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Rearrangements and Tunneling Splittings in Small Water Clusters
Recent far-infrared vibration-rotation tunneling (FIR-VRT) experiments pose new challenges to theory because the interpretation and prediction of such spectra requires a detailed understanding of the…
David J. WalesOct 16, 1998
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Rearrangements of Water Dimer and Hexamer
Rearrangement mechanisms of the water dimer and the cage form of the water hexamer are examined theoretically with particular reference to tunneling splittings and spectroscopy. The three lowest…
David J. WalesOct 16, 1998
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Guided random walk calculation of energies and < r2 > values of the 1Σg state of H2 in a magnetic field
Energies and spatial observables for the 1Σg state of the hydrogen molecule in magnetic fields parallel to the proton-proton axis are calculated with a guided random walk Feynman-Kac algorithm.…
Mario EncinosaOct 15, 1998
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