Related papers: Intershell correlations in endohedral atoms
Level density $\rho(E,N,Z)$ is derived for a nuclear system with a given energy $E$, neutron $N$, and proton $Z$ particle numbers, within the semiclassical extended Thomas-Fermi and periodic-orbit theory beyond the Fermi-gas saddle-point…
Three well known photonuclear sum rules (SR), i.e. the Thomas-Reiche-Kuhn, the bremsstrahlungs and the polarizability SR are calculated for 4He with the realistic nucleon-nucleon potential Argonne V18 and the three-nucleon force Urbana IX.…
We theoretically investigate the impact of multiple plasmon resonances on the charging of Xe clusters embedded in He nanodroplets under intense pump-probe laser excitation. Our molecular dynamics simulations on Xe309He10000$ and comparison…
We concentrate on several relatively new aspects of the study of fast electron scattering by atoms and atom-like objects, namely endohedral atoms and fullerenes. We show that the corresponding cross sections, being expressed via so-called…
We offer a new theoretical interpretation for the effect of enhanced electron density at $^7$Be nucleus encapsulated in fullerene C$_{60}$. Our {\it{ab initio}} Hartree-Fock calculations show that electron density at the $^7$Be nucleus in…
Electron correlation and higher-order relativistic effects are probed in the evaluation of scalar and tensor static electric dipole (E1) polarizabilities ($\alpha_d$) of several even- and odd-parity states in cesium (Cs) using the…
Accurate approximation of the exchange-correlation (XC) energy in density functional theory (DFT) calculations is essential for reliably modelling electronic systems. Many such approximations are developed from models of the XC hole;…
Carbon is the most important chemical element and the theoretical study of its new allotropes can be of great interest. In this study, regular dodecahedron (dodecahedrane) oligomers (n = 1, 3, 5, 7, 9, 11, 13) by extending the dodecahedrane…
The half-life of 7Be implanted in a C60 pellet and gold foil has been measured to be about the same within about 0.2%. Using a radiochemical technique, we also measured that the probability of formation of endohedral 7Be@C60 by nuclear…
We have investigated how helium atoms are distributed within a mixed $^3$He$_{N_3}$-$^4$He$_{N_4}$ large drop with $N_3 \gg N_4$. For drops doped with a SF$_6$ molecule or a Xe atom, we have found that the number of $^3$He atoms within the…
We derive a model for the highest occupied molecular orbital band of a C60 crystal which includes on-site electron-electron interactions. The form of the interactions are based on the icosahedral symmetry of the C60 molecule together with a…
Properties of point defects resulting from the incorporation of inert-gas atoms in bcc tungsten are investigated systematically using first-principles density functional theory (DFT) calculations. The most stable configuration for the…
The model of endofullerenes M@C60 with M=Li,Na,Cs,Cu,Ag are proposed for study an effect of the nature of endoatoms upon features of the minimum energy structures. They were calculated by SCF Hartree-Fock method with ECP (Ag and Cs) and…
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…
Trends in resonances, termed confinement resonances, in photoionization of atoms A in endohedral fullerene anions A@C60^{z-} are theoretically studied and exemplified by the photoionization of Ne in Ne@C{60}^{z-}. Remarkably, above a…
The structure of E1 resonances is examined in a microscopic random phase approximation calculation for neutral, symmetric, closed shell, electron-hole systems in a quantum dot. The number of electron-hole pairs, N, is varied from 6 to 42.…
The electric dipole response of the halo nucleus $^{11}$Li is calculated in a hyperspherical three-body formulation, and is studied as a function of the interaction employed for $n-^9$Li to reflect the Pauli principle. Strength…
The calculations of the charge distribution in C$_{60}$-based FET structure are presented. A simple model is proposed to describe the distribution of the injected electrons or holes between two-dimensional layers. The calculations show that…
We demonstrate the self-assembly of C$_{60}$ and pentacene (Pn) molecules into acceptor-donor heterostructures which are well-ordered and -- despite the high degree of symmetry of the constituent molecules -- {\it chiral}. Pn was deposited…
We supplement our previous observations of the shell effect in alkali-metal nanowires (Li, Na, K) with data extended to the heavy alkalis Rb and Cs. Our observations include: i) a non-monotonous dependence of conductance-histogram peak…