Valeriy Dolmatov

Diffuse versus square-well confining potentials in modelling A@C60 atoms

A perceived advantage for the replacement of a discontinuous square-well pseudo-potential, which is often used by various researchers as an approximation to the actual C60 cage potential in calculations of endohedral atoms A@C60, by a more realistic diffuse potential is explored. The photoionization of endohedral H@C60 and Xe@C60 is chosen as the case study. The diffuse potential is modelled by a combination of two Woods–Saxon potentials. It is demonstrated that photoionization spectra of A@C60 atoms are largely insensitive to the degree η of diffuseness of the potential borders, in a reasonably broad range of ηs. These spectra are found to be insensitive to discontinuity of the square-well potential as well. Both potentials result in practically identical calculated spectra. New numerical values for the set of square-well parameters, which lead to a better agreement between experimental and theoretical data for A@C60 spectra, are recommended for future studies.

Electron elastic scattering off endohedral fullerenes A@C60: the initial insight

The initial insight into electron elastic scattering off endohedral fullerenes A@C60 is gained in the framework of a theoretical approach where the C60 cage is modelled by a rectangular (in the radial coordinate) potential well, as in many other A@C60 studies. The effect of a noticeably weaker electron elastic scattering off A@C60 compared to that off empty C60 or even the isolated atom A itself, as well as a strong sensitivity of e + A@C60 scattering to the spin of the captured atom A are unravelled, for certain kinds of atoms. Obtained results lay out the initial qualitative basis for identifying interesting measurements and/or more rigorous calculations of e + A@C60 elastic scattering to perform.

Attosecond time delay in the photoionization of endohedral atoms A@C 60 : A probe of confinement resonances

The effects of confinement resonances on photoelectron group delay (Wigner time delay) following ionization of an atom encapsulated inside a C

Atomic swelling upon compression

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Relativistic calculations of angle-dependent photoemission time delay

cage have been studied theoretically using both relativistic and non-relativistic random phase approximations. The results indicate clearly the resonant character of the confinement oscillations in time delay of the

Nondipole effects in the photoabsorption of electrons in two-centre zero-range potentials

4d

‘C60 spin-charging’ with an eye on a quantum computer

shell of Xe@C

Angular distribution of 3p photoelectrons in Cr and Mn

_{60}

Ba 5s photoionization in the region of the second Cooper minimum

and present a most direct manifestation of Wigner time delay. These oscillations were missed in a previous theoretical investigation of Ar@C

Confinement and electron correlation effects in photoionization of atoms in endohedral anions: Ne@Cz−60

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