原子与分子团簇
Standard density functional approximations greatly over-estimate the static polarizability of longchain polymers, but Hartree-Fock or exact exchange calculations do not. Simple self-interaction corrected (SIC) approximations can be even…
The force exerted on nanoparticles and atomic clusters by fast passing electrons like those employed in transmission electron microscopes are calculated and integrated over time to yield the momentum transferred from the electrons to the…
The spectroscopy of free radicals and radical containing entrance-channel complexes embedded in superfluid helium nano-droplets is reviewed. The collection of dopants inside individual droplets in the beam represents a micro-canonical…
We review results on scattering observables for $^4$He--$^4$He$_2$ and $^3$He--$^4$He$_2$ collisions. We also study the effect of varying the coupling constant of the atom-atom interaction on the scattering length.
We propose the generalization of a known established empirically (Wahl W. and Wucher A. Nucl. Instrum. Meth. B 94, 36(1994)) power law, describing relative mass-spectra of neutral sputtered clusters, on the cases of arbitrary cluster…
The dynamic orientational order-disorder transition of clusters consisting of octahedral molecules is formulated in terms of symmetry-adapted rotator functions. The transition from a higher-temperature body-centered-cubic, orientationally…
The melting-like transition in sodium clusters Na_N, with N=55, 92, and 142 is studied by using constant-energy molecular dynamics simulations. An orbital-free version of the Car-Parrinello technique is used which scales linearly with…
This pedagogical review presents the Shell Correction Method (SCM) and variants thereof, appropriate for describing shape deformations and electronic shell effects, energetics and decay pathways of metal-cluster fragmentation processes…
Tight-binding molecular dynamics (TBMD) is used to study the structural and electronic properties of silver clusters. The ground state structures of Ag clusters up to 21 atoms are optimized via TBMD combined with genetic algorithm (GA). The…
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).
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 symmetry G. We treat the case of intra-…
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 ions in finite symmetry environments. The…
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 intra-configurational transitions with some details and…
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 is concerned with the determination of the…
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 qualitative point of view.
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 model giving the polarization dependence of…
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 disappearance and formation of the Efimov levels of…
A mechanism of disappearance and formation of the Efimov levels of the helium ^4He_3 trimer is studied when the force of interatomic interaction is changed. The resonances including virtual levels are calculated by the method based on the…
A mechanism of disappearance and formation of the Efimov levels of the helium ^4He trimer is studied when the force of the interatomic interaction is changed. It is shown that these levels arise from virtual levels which are in turn formed…
The time-dependent local-density approximation (TDLDA) is applied to the optical response of conjugated carbon molecules in the energy range of 0-30 eV, with calculations given for carbon chains, polyenes, retinal, benzene and C_60. The…