Related papers: Intershell correlations in endohedral atoms
The isotropic and anisotropic coefficients $C^{l,m}_n$ of the long-range spherical expansion $\sim 1/R^n$ ($R$ -- the intermolecular distance) of the dispersion and inductions intermolecular energies are calculated using the first…
We study molecular properties of the high-temperature modification of fullerites. In the present work we calculate the intermolecular correlations and the mean square relative displacements in C60. The Girifalco intermolecular potential is…
We calculate parity-dependent level densities for the even-even isotopes 58,62,66 Fe and 58 Ni and the odd-A nuclei 59 Ni and 65 Fe using the Shell Model Monte Carlo method. We perform these calculations in the complete fp-gds shell-model…
Correspondences between the Thomson Problem and atomic electron shell-filling patterns are observed as systematic non-uniformities in the distribution of potential energy necessary to change configurations of $N\le 100$ electrons into…
The coexistence of PAHs and the C$_{60}$ fullerene in different astrophysical environments can give rise to the formation of new complex species denoted as PAH-C$_{60}$ adducts, which may contribute to the infrared (IR) emission observed.…
Electronic correlation is a complex many-body effect and the correlation energy depends on the specific electronic structure and spatial distribution of electrons in each atom and molecule. Although the total correlation energy in an atom…
Linear response approach to the relativistic coupled-cluster (RCC) theory has been extended to estimate contributions from the parity and time-reversal violating pseudoscalar-scalar (Ps-S) and scalar-pseudoscalar (S-Ps) electron-nucleus…
We have measured the threshold center-of-mass kinetic energy for knocking out a single carbon atom from C$_{60}^-$ in collisions with He. Combining this experimental result with classical molecular dynamics simulations, we determine a…
We examine effects of encapsulated metal atoms inside a C$_{60}$ molecule on the activation energy barrier to the Stone-Wales transformation using {\it ab initio} calculations. The encapsulated metal atoms we study are K, Ca and La which…
We investigate the influence of the appearance of excitonic states on van der Waals interactions among two Rydberg atoms. The atoms are assumed to be in different Rydberg states, e.g., in the $|ns\rangle$ and $|np\rangle$ states. The…
We demonstrate that the Auger decay rate in an endohedral atom is very sensitive to the atom's location in the fullerene cage. Two additional decay channels appear in an endohedral system: (a) the channel due to the change in the electric…
Fission of $^{180}$Hg produces mass asymmetric fragments which are expected to be influenced by deformed shell-effects at N=56 in the heavy fragment and Z=34 in the light fragment [G. Scamps and C. Simenel, arXiv:1904.01275 (2019)]. To…
Electron pairing is a rare phenomenon appearing only in a few unique physical systems; e.g., superconductors and Kondo-correlated quantum dots. Here, we report on an unexpected, but robust, electron "pairing" in the integer quantum Hall…
The recent experimental fabrication of monolayer and few-layer C60 polymers paves the way for synthesizing two-dimensional cluster-assembled materials. Compared to atoms with the SO(3) symmetry, clusters as superatoms (e.g., C60) have an…
The parity (P) and time-reversal (T) odd coupling constant associated with the tensor-pseudotensor (T-PT) electron-nucleus interaction and the nuclear Schiff moment (NSM) have been determined by combining the result of the measurement of…
We use the non-relativistic random phase approximation with exchange to perform calculations of valence shell photoionization of Ne, Ar, Kr and Xe from their respective thresholds to photon energy of 200 eV. The energy derivative of the…
The quasi-hexagonal phase of the two-dimensional fullerene network (qHPC$_{60}$), recently synthesized, has emerged as a stable carbon-based material with distinct structural and electronic features. In this work, we employed density…
We present the first measurements of photoelectron spectra of atomic clusters embedded in superfluid helium (He) nanodroplets. Owing to the large absorption cross section of xenon (Xe) around 100 eV photon energy (4d inner-shell…
Representing polyether-salt systems by chains of interacting coordination shells, defined by the cation and by its nearest ligands, we derive the interaction potential between closest shells -- the inter-shells potential -- in terms of…
We present analysis of a system of three two-level atoms interacting with each other through the dipole-dipole interaction. The interaction manifests between excited state of one of the atoms and the ground state of its nearest neighbour.…