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L. V. Chernysheva

Publications and source records attributed to L. V. Chernysheva.

At least 19 recordsLinked to original sources

Photoionization of atoms and ions from endohedral anions

We study the interconnection between the results of two qualitatively different approximate calculations of photoionization cross sections, $σ_{n\ell}$, for neutral atoms ($A$) or their cations ($A^+$), centrally confined inside a fullerene-anion shell, $C_{N}^{q}$ , where $q$ represents the negative excess charge on the shell. One of the approximations, frequently employed in previous studies, assumes a uniform excess negative charge distribution over the entire fullerene shell, by analogy with a charged metallic sphere. The other approximation, not previously discussed in the literature, considers the quantum states of the excess electrons on the shell, determined by specific $n$ and $\ell$ values of their quantum numbers. Remarkably, both methods yield photoionization cross sections for the encapsulated species that are close to each other. Consequently, we find that the photoionization of the encapsulated atoms or cations inside a $C_{N}^{q}$ anion is minimally influenced by the quantum states of the excess electrons on the fullerene shell. Furthermore, we demonstrate that the aforementioned influence decreases even further with an increasing size of the confining fullerene shell. All this holds true at least under the assumption that the confined atom or cation is compact, i.e., its electron density remains primarily within itself rather than being drawn into the fullerene shell. This remarkable finding results from Hartree-Fock calculations combined with a popular modeling of the fullerene shell, where it is modeled by an attractive spherical annular potential.

physics.atom-ph

Positron elastic scattering by a semifilled-shell atom

We theoretically study the positron elastic scattering by an atom with a multielectron semifilled subshell in its structure. The positron scattering by the Mn($...3d^{5}4s^{2}$,$^{6}S)$ atom with a $3d^{5}$ semifilled subshell ($e^{+}+Mn$ scattering) is chosen as a case study. We account for both the electron correlation and the formation of a $e^{+}+e^{-}$ virtual positronium (Ps) in the intermediate states of the $e^{+}+Mn$ system. Electron correlation is taken into account in the framework of the self-energy part of the scattering positron Green function generalized for the application to semifilled-shell atoms. The influence of the virtual Ps formation on $e^{+}+Mn$ scattering is taken into account by the reduction of the energy of the virtual \textit{positron plus atomic-excited-configuration} states by the Ps-binding energy, to a reasonable approximation. We unravel the importance and specificity of the influence of both the virtual Ps and electron correlation on $e^{+}+Mn$ elastic scattering. We demonstrate spectacular differences between the electron and positron scattering processes.

physics.atom-ph

Non-dipole effects in time delay of photoelectrons from atoms, negative ions, and endohedrals

In this Letter, we investigate the non-dipole effects in time delay of photoelectrons emitted by multi-electron atoms, negative ions, and respective endohedrals. We present the necessary general formulas in the frame of the random phase approximation with exchange (RPAE) applied to atoms, negative ions, and properly adjusted to endohedrals. We concentrate on low photon energy region, where non-dipole effects are very small in the cross-sections but become observable in angular distributions. We not only derive the formulas for non-dipole effects in time delay, but perform corresponding numeric calculations. We demonstrate how the non-dipole corrections can be isolated in experiment. Concrete calculations are performed for noble gas atoms Ar and Xe, isoelectronic to them negative ions Cl- and I- and endohedrals Ar(Cl-)C60 and Xe(I-)@C60. We found that the forward-backward photoelectron time delay differences give direct information on non-dipole effects. They proved to be quite measurable and prominently affected by the presence of the fullerenes shell.

physics.atom-ph

Time delay of photoionization by Endohedrals

In this Letter, we investigate the time delay of photoelectrons by fullerenes shell in endohedrals. We present general formulas in the frame of the random phase approximation with exchange (RPAE) applied to endohedrals A@CN that consist of an atom A located inside of a fullerenes shell constructed of N carbon atoms C. We calculate the time delay of electrons that leave the inner atom A in course of A@CN photoionization. Our aim is to clarify the role that is played by CN shell. As concrete examples of A we have considered Ne, Fr, Kr and Xe, and as fullerene we consider C60. The presence of the C60 shell manifests itself in powerful oscillations of the time delay of an electron that is ionized from a given subshell nl by a photon with energy. Calculations are performed for outer, subvalent and d-subshells.

physics.atm-clus

On the compression of the fullerene shell by an extra positive charge at its center

In this Letter, we investigate the variation of endohedral A@CN potential due to addition at the center of it a positive charge, for example, in the process of atom A photoionization. Using a reasonable model to describe the fullerenes shell, we managed to calculate the variation that is a consequence of the monopole polarization of CN shell. We analyze model potentials with flat and non-flat bottoms and demonstrate that the phenomenological potentials that properly simulates the C60 shell potential should belong to a family of potentials with a non-flat bottom. As concrete example, we use the Lorentz-bubble model potential. By varying the thickness of this potential, we describe the various degrees of the monopole polarization of the C60 shell by positive electric charge in the center of the shell. We calculated the photoionization cross-sections of He, Ar and Xe atoms located at the center of C60 shell with and without taking into account accompanying this process monopole polarization of the fullerenes shell. Unexpectedly, we found that the monopole polarization do not affect the photoionization cross sections of these endohedral atoms.

physics.atm-clus

Intershell correlations in endohedral atoms

We have calculated partial contributions of different endohedral and atomic subshells to the total dipole sum rule in the frame of the random phase approximation with exchange (RPAE) and found that they are essentially different from the numbers of electrons in respective subshells. This difference manifests the strength of the intershell interaction. We present concrete results of calculations for endohedrals, composed of fullerene C60 and all noble gases He, Ne, Ar, Kr and Xe thus forming respectively He@C60, Ne@C60, Ar@C60, Kr@C60, and Xe@C60. For comparison we obtained similar results for isolated noble gas atoms. The deviation from number of electrons in outer subshells proved to be much bigger in endohedrals than in isolated atoms thus demonstrating considerably stronger intershell correlations there.

physics.atm-clus

Photoionization of Molecular Endohedrals

We calculate the photoionization cross-section of a molecular endohedral. We limit ourselves to two-atomic molecules. The consideration is much more complex than for atomic endohedrals because the system even for almost spherical fullerenes has only cylindrical instead of spherical symmetry. On the other hand, molecular endohedral is more interesting since the interelectron interaction in molecules is relatively stronger than in similar atoms. We present here results of calculations of molecular hydrogen stuffed inside almost spherical fullerene. For comparison, we perform calculations also for atomic endohedral with Helium inside fullerene. The results are obtained both in the single-electron Hartree-Fock approximation and with account of multi-electron correlations in the frame of so-called random phase approximation with exchange. The presence of the fullerenes shell results in prominent oscillations in the endohedrals photoionization cross section. The role of interelectron correlations becomes clear by comparing HF and RPAE results for molecular and atomic endohedral on the one side with that for corresponding isolated molecule and atom on the other.

physics.atm-clus

Photoionization of Endohedrals with account of fullerenes polarization

We have calculated photoionization cross-section of endohedral atoms A@CN. We took into account the polarizability of the fullerene electron shell CN that modifies the incoming photon beam and the one-electron wave functions of the caged atom A. We employ simplified versions of both static and dynamic polarization. The properly modified one-electron wave functions became a starting point of the account of the multi-electron correlations in the frame of the random phase approximation with exchange (RPAE). We treat atomic and fullerenes polarization that act upon photoelectron similarly, substituting them by static polarization potential. The photon beam polarizes the fullerene. This effect is accounted for introducing a polarization factor. As concrete objects, we have considered Ar and Xe atoms inside fullerene C60. Inclusion of polarization prominently increases the photoionization cross-section mainly close to the threshold.

physics.atm-clus

Angle-differential elastic electron scattering off C$_{60}$: A simple semi-empirical theory versus experiment

We prove in the present paper that a simple modeling of a complicated highly polarizable C$_{60}$ target by a rectangular (in a radial coordinate) square well potential in combination with the static polarization potential provides a viable approximation for a low-energy elastic electron scattering off this target. The proof is based on the results of the comparison of the calculated angle-differential elastic electron scattering cross section off C$_{60}$ versus corresponding experimental data.

physics.atom-ph

Estimation of the integral role of Intershell correlations in heavy atoms

We demonstrate that in the frame of the random phase approximation with the exchange, which preserves the validity of the precise well known dipole sum rule, the partial contributions for given subshells strongly deviates from the number of electrons in these subshells. This demonstrates strong effects of intershell interaction in atoms.

physics.atom-ph

On the bosonic atoms

We investigate here ground state properties of atoms, in which substitute fermions -- electrons by bosons, e.g. $π$ - meson. We perform some calculations in the frame of modified Hartree-Fock (HF) equation. The modification takes into account the symmetry, instead of anti-symmetry of the two-identical bosons wave function. The modified HF approach thus enhances (doubles) the effect of self-action for the boson case. Therefore, we accordingly modify the HF equations by eliminating from them the self-action terms artificially. We found the binding energy of $π$ - meson negative ions of $π$ - meson atoms and the number of extra bound $π$ - meson increases with the growth of nuclear charge Z. For e.g. for Xe even four times charged negative ion exists. As an example of a simple process with a pion atom, we consider photoionization that differs essentially from that for electron atoms. Namely, it is not monotonic decreasing from the threshold but has a prominent maximum above threshold instead. We study also elastic scattering of pions by $π$ - meson atoms.

physics.atom-ph

The low-energy positron scattering upon endohedrals

We investigate positron scattering upon endohedrals and compare it with electron-endohedral scattering. We show that the polarization of the fullerene shell considerably alters the polarization potential of an atom, stuffed inside a fullerene. This essentially affects both the positron and electron elastic scattering phases as well as corresponding cross-sections. Of great importance is also the interaction between the incoming positron and the target electrons that leads to formation the virtual positronium. We illustrate the general trend by concrete examples of positron and electron scattering upon endohedrals He@C60 and Ar@C60, and compare it to scattering upon fullerene C60. To obtain the presented results, we have employed new simplified approaches that permit to incorporate the effect of fullerenes polarizability into the He@C60 and Ar@C60 polarization potential and to take into account the virtual positronium formation. Using these approaches, we obtained numeric results that show strong variations in shape and magnitudes of scattering phases and cross-sections due to effect of endohedral polarization and virtual positronium formation.

physics.atom-ph

Electron elastic scattering off polarizable $A$@C$_{60}$: The complete study within a particular theory

A deeper insight into electron elastic scattering off endohedral fullerenes $A$@C$_{60}$ is provided. The study accounts for polarization of both the encapsulated atom $A$ and C$_{60}$ cage by an incident electron. It is carried out in the framework of the combination of both a model and the first-principle approximations. A core principle of the model is that the C$_{60}$ cage itself is presented by an attractive spherical potential of a certain inner radius, thickness, and depth. The main idea of the first-principle approximation is that the polarization of $A$@C$_{60}$ by an incident electron is accounted with the help of the Dyson equation for the self-energy part of the Green's function of an incident electron. Calculations are performed for, and comparison is made between the individual cases: (a) when $A$@C$_{60}$ is regarded as a static system, (b) when C$_{60}$ is a static cage, but the encapsulated atom is polarizable, (c) when both C$_{60}$ and $A$ are polarized simultaneously but independently of each other, and (d), as the most general scenario, when polarizabilities of C$_{60}$ and $A$ are coupled. Spectacular similarities and discrepancies between results of each of the exploited approximations are demonstrated. Revealed features of the overall significant impact of $A$@C$_{60}$ polarization by an incident electron on its elastic scattering off $A$@C$_{60}$ are demonstrated. Choosing Ne, Xe, and Ba as "probing" atoms, the dependence of $e + A@{\rm C_{60}}$ scattering on the size and polarizability of the encapsulated atom is unraveled.

physics.atom-ph

The role of fullerene shell upon stuffed atom polarization potential

We have demonstrated that the polarization of the fullerene shell considerably alters the polarization potential of an atom, stuffed inside a fullerene. This essentially affects the electron elastic scattering phases as well as corresponding cross-sections. We illustrate the general trend by concrete examples of electron scattering by endohedrals of Neon and Argon. To obtain the presented results, we have suggested a simplified approach that permits to incorporate the effect of fullerenes polarizability into the Neon and Argon endohedrals polarization potential. As a result, we obtained numeric results that show strong variations in shape and magnitudes of scattering phases and cross-sections due to effect of fullerene polarization upon the endohedral polarization potential.

physics.atm-clus

Electron elastic scattering off $A$@C$_{60}$: The role of atomic polarization under confinement

The present paper explores possible features of electron elastic scattering off endohedral fullerenes $A$@C$_{60}$. It focuses on how dynamical polarization of the encapsulated atom $A$ by an incident electron might alter scattering off $A$@C$_{60}$ compared to the static-atom-$A$ case, as well as how the C$_{60}$ confinement modifies the impact of atomic polarization on electron scattering compared to the free-atom case. The aim is to provide researchers with a "relative frame of reference" for understanding which part of the scattering processes could be due to electron scattering off the encapsulated atom and which due to scattering off the C$_{60}$ cage. To meet the goal, the C$_{60}$ cage is modeled by an attractive spherical potential of a certain inner radius, thickness, and depth which is a model used frequently in a great variety of fullerene studies to date. Then, the Dyson equation for the self-energy part of the Green's function of an incident electron moving in the combined field of an encapsulated atom $A$ and C$_{60}$ is solved in order to account for the impact of dynamical polarization of the encaged atom upon $e + A@{\rm C_{60}}$ scattering. The Ba@C$_{60}$ endohedral is chosen as the case study. The impact is found to be significant, and its utterly different role compared to that in $e + Ba$ scattering is unraveled.

physics.atom-ph

Influence of the inner shell electrons on photoionization of outer shells

We have studied the role of virtual excitations of inner shells upon outer shell photoionization. The calculations were performed in the frames of the Random Phase Approximation and its generalized version GRPAE that take into account variation of the atomic field due to electron elimination and the inner vacancies decay. We employ both analytic approximation and numeric computations. The results are presented for 3p electrons in Ar and 4d-electrons in Pd near inner shells thresholds. The effect proved to be noticeable.

physics.atom-ph

On the behavior of scattering phases in collisions of electrons with multi-atomic objects

We have studied the energy dependence of several first scattering phases with multi-atomic object. As concrete examples representing the general trends endohedrals Neon inside C60 and Argon inside C60 are considered. It appeared that the presence of an inner atom, either Ne or Ar, qualitatively affects the scattering phases, in spite of the fact that the fullerene consists of 60 carbon atoms, while the atom staffed inside is only one. Calculations are performed in the one-electron Hartree-Fock (HF) and random phase approximation with exchange (RPAE) for the inner atom while the fullerenes shell is substituted by static potential without and with the polarization potential. It appeared that the total endohedral scattering phase is simply a sum of atomic, Ne or Ar, and fullerenes C60 phases, contrary to the intuitive assumption that the total phases on C60 and Neon inside C60 or Ar inside C60 has to be the same.

physics.atm-clus