Related papers: Structure and static response of small silver clus…
Using the stabilized jellium model in two schemes of `relaxed' and `rigid', we have calculated the dissociation energies and the fission barrier heights for the binary fragmentations of singly-ionized and doubly-ionized Ag clusters. In the…
We construct a meta-generalized-gradient approximation which properly balances the nonlocality contributions to the exchange and correlation at the semilocal level. This non-empirical functional shows good accuracy for a broad palette of…
The theoretical formalism of the local density approximation (LDA) to density functional theory (DFT) has been used to study the electronic and geometric structures of SimCn (1<=m, n<=4;n<=m) clusters. An all electron 6-311++G** basis set…
Laboratory experiments and particle-resolved simulations are employed to investigate the settling dynamics of a pair of rigidly connected spherical particles of unequal size. They yield a detailed picture of the transient evolution and the…
We study static, spherically symmetric, self-gravitating systems minimally coupled to a scalar field with U(1) gauge symmetry: charged boson stars. We find numerical solutions to the EinsteinMaxwell equations coupled to the relativistic…
We prove a threshold-sharp stability theory for the conformal scalar-curvature sector on zero-curvature Carter backgrounds. The main result is a fully closed bounded-slab theorem: the reflecting evolution is constructed, the conserved…
The macroscopic properties of compact stars in modified gravity theories can be significantly different from the general relativistic (GR) predictions. Within the gravitational context of scalar-tensor theories, with a scalar field $\phi$…
Recently, we have demonstrated that the problems finding a suitable adiabatic approximation in time-dependent one-body reduced density matrix functional theory can be remedied by introducing an additional degree of freedom to describe the…
By using the quantum Ising chain as a test bed and treating the spin polarization along the external transverse field as the "generalized density", we examine the performance of different levels of density functional approximations parallel…
Using first-principles density functional theory based calculations, we analyze the structural stability of small clusters of 3$d$ late transition metals. We consider the relative stability of the two structures - layer-like structure with…
The effective response depends sensitively on composite microstructure due to large fluctuations in the local electric field. For metallic clusters embedded in a dielectric host, the local field distributions are extremely inhomogeneous in…
In this work, we have used the exchange-only optimized effective potential in the self-consistent calculations of the density functional Kohn-Sham equations for simple metal clusters in stabilized jellium model with self-compression. The…
We determine the structure and melting behavior of supported metallic clusters using an ab initio density-functional-based treatment of intracluster interactions and an approximate treatment of the surface as an idealized smooth plane…
Previously, the authors reported direct evidence of channel saturation and conductance quantization in atomic-sized gold constrictions through mechanical perturbation studies, and also showed that peaks in conductance histograms are…
We have calculated the absorption characteristics of different hybrid systems consisting of Ag, Ag2 or Ag3 atomic clusters and poly(methacrylic acid) (PMAA) using the time-dependent density-functional theory. The polymer is found to have an…
The Ionization Potentials of small Li_N clusters are calculated with a Shell Correction Method. They are used to illustrate that, within the jellium approximation, deformed cluster shapes provide an adequate description of the observed…
We present a comparative study of metal-organic interface properties obtained from dispersion corrected density functional theory calculations based on two different approaches: the periodic slab supercell technique and cluster models with…
The strong-coupling perturbation theory (SCPT) for correlated electron systems is extended to the case of full Coulomb interaction. The Coulomb mechanism of the orbital polarization is discussed and attention is paid to the importance of…
The static electric dipole polarizability of $\mathrm{Na_N}$ clusters with even N has been calculated in a collective, axially averaged and a three-dimensional, finite-field approach for $2\le N \le 20$, including the ionic structure of the…
Topologically stable structures include vortices in a wide variety of matter, such as skyrmions in ferro- and antiferromagnets, and hedgehog point defects in liquid crystals and ferromagnets. These are characterized by integer-valued…