Journal ArticleDOI
Photoionization of atomic krypton confined in the fullerene C60
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In this article, the combined effects of interchannel coupling, relativistic interactions and endohedral confinement on the photoionization of atomic Kr are studied, and the confinement of the Kr atom placed at the centre of the C60 cage is modelled by placing the atom inside an annular spherical potential.Abstract:
The combined effects of interchannel coupling, relativistic interactions and endohedral confinement on the photoionization of atomic Kr are studied. The confinement of the Kr atom placed at the centre of the C60 cage is modelled by placing the atom inside an annular spherical potential. Cross sections for the photoionization and angular distribution of photoelectrons from the 4p, 4s, 3d and 3p subshells are reported within the framework of the relativistic-random-phase approximation.read more
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Confinement induced binding of noble gas atoms.
TL;DR: Electron density analysis shows that the He-He interaction in He2@B16N16 is of closed-shell type whereas for the same in He 2@B12N12 there may have some degree of covalent character, and confinement causes some type of orbital interaction between two He atoms, which akins to some degree.
Journal Article
On the possibility of considering the fullerene shell C60 as a conducting sphere
TL;DR: In this paper, the dynamical and static dipole polarizabilities of the C 60 molecule have been calculated on the basis of the experimental data on the cross section of the fullerene photoabsorption.
Journal ArticleDOI
Electronic structure and dynamics of confined atoms
TL;DR: In this paper, a review of investigations of the electronic structure and dynamics of atoms encaged in a single molecule is presented, where the major effects of confinement on the dynamical properties, e.g., confinement resonances, hybridization, Wigner time delay, are delineated.
Journal ArticleDOI
Study of resonances in the photoionization of Ar@C 60 and C 60
J. Jose,R. R. Lucchese +1 more
TL;DR: In this article, the static exchange method is applied to investigate photoionization of a confined system, Ar@C60, which explicitly includes the position of each carbon atom in the C60, a considerable improvement over methods to address the structure and photo dynamics of a constrained system where the carbon shell is modelled by a spherically symmetric model potential.
Journal ArticleDOI
Photoionization phase shift and Wigner time delay of endohedrally confined atoms using transient phase methods
TL;DR: In this article, two transient phase methods have been used to directly compute the photoionization phase shift and Wigner time delay of confined atoms (A@C60) in the single-active electron (SAE) approximation.
References
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Journal ArticleDOI
Quadrupole photoionization of endohedral Xe@C60
Karan Govil,Pranawa C. Deshmukh +1 more
TL;DR: In this paper, the effect of an endohedral confinement on the quadrupole photoionization of atomic Xe was studied using the relativistic random phase approximation (RRPA).
Journal ArticleDOI
First prediction of the direct effect of a confined atom on photoionization of the confining fullerene
TL;DR: In this article, the confined atom can qualitatively modify the energetic photoionization of some cage levels, even though these levels are of very dominant fullerene character, and the effect imposes strong new oscillations in the cross sections which are forbidden to the ionization of empty fullerenes.