Related papers: Intershell correlations in endohedral atoms
We have studied the effect of including nearest-neighbor, electron-electron interactions, in particular the off-diagonal (non density-density) terms, on the spectra of truncated tetrahedral and icosahedral ``Hubbard molecules,'' focusing on…
Buckminsterfullerene, C$_{60}$, has not only a beautiful truncated icosahedral (soccerball) shape, but simple H\"uckel calculations predict a three-fold degenerate lowest unoccupied molecular orbital (LUMO) which can accomodate up to six…
We investigate the parity ($\mathcal{P}$) and time-reversal ($\mathcal{T}$) symmetry violating effects in the CdH molecule and perform the relativistic coupled-cluster calculation of the molecular parameters- $E_\text{eff}$, $W_\text{s}$…
The dipole approximation is employed to describe interactions between atoms and radiation. It essentially consists of neglecting the spatial variation of the external field over the atom. Heuristically, this is justified by arguing that the…
The polymer phases of AC60 form distinct crystal structures characterized by the mutual orientations of the (C60-)n chains. We show that the direct electric quadrupole interaction between chains always favors the orthorhombic structure Pmnn…
The results of a joint experimental and theoretical investigation of the C60 collective excitations in the process of inelastic scattering of electrons are presented. The shape of the electron energy loss spectrum is observed to vary when…
A synthesis technology of endohedral fullerenes such as Fe@C60 has developed with an electron cyclotron resonance (ECR) ion source. The production of N@C60 was reported. However, the yield was quite low, since most fullerene molecules were…
A decade of intense research on two-dimensional (2D) atomic crystals has revealed that their properties can differ greatly from those of the parent compound. These differences are governed by changes in the band structure due to quantum…
We analyze the Coulomb hole of Ne from highly-accurate CISD wave functions obtained from optimized even-tempered basis sets. Using a two-fold extrapolation procedure we obtain highly accurate results that recover 97\% of the correlation…
High-entropy alloys (HEAs) composed of multiple principal elements have been shown to offer improved radiation resistance over their elemental or dilute-solution counterparts. Using NiCoFeCrMn HEA as a model, here we introduce carbon and…
Effects of confinement and electron correlations on the relative time delay between the 3s and 3p photoemissions of Ar confined endohedrally in C$_{60}$ are investigated using the time dependent local density approximation - a method that…
The effects of interactions between He- and clusters of fullerenes in helium nanodroplets are described. Electron transfer from $He^{-}$ to $(C_{60})_n$ and $(C_{70})_n$ clusters results in the formation of the corresponding fullerene…
This article reports dependence of exchange bias (EB) effect on interparticle interactions in nanocrystalline Co/CoO core/shell structures, synthesized using conventional sol-gel technique. Analysis via powder X-Ray diffraction (PXRD)…
Novel equations for the electric dipole polarizability $\alpha_{_{E1}}$ of low-lying excited states in atomic nuclei -- and the related $(-2)$ moment of the total photo-absorption cross section, $\sigma_{_{-2}}$ -- are inferred in terms of…
We investigate the emergence of correlated electron phases in rhombohedral $N$-layer graphene due to two-valley Coulomb interactions within a low-energy $k \cdot p$ framework. Analytical expressions for Lindhard susceptibilities in intra-…
When atoms and molecules are ionized by laser pulses of finite duration and increasingly high intensities, the validity of the much used dipole approximation, in which the spatial dependence and magnetic component of the external field are…
We demonstrate that the electronic, thermal, and optical properties of a graphene bilayer with boron and nitrogen dopant atoms can be controlled by the interlayer distance between the layers in which the interaction energy and the van der…
Metal-fullerene compounds are characterized by significant electron transfer to the fullerene cage, giving rise to an electric dipole moment. We use the method of electrostatic beam deflection to verify whether such reactions take place…
This paper assesses the importance of three-body triple dipole interactions for quasi-one dimensional phases of He, Ne, H_2, Ar, Kr and Xe confined within interstitial channels or on the external surfaces of nanotube bundles. We find the…
It is demonstrated that in fullerene C70 which can be considered as a deformed fullerene C60 in some sense there is a withdrawal of an electrodynamical forbiddance of a strong quadrupole light-molecule interaction which is realized in the…