Complex free energy landscapes in biaxial nematics and role of repulsive interactions : A Wang - Landau study

General quadratic Hamiltonian models, describing interaction between crystal molecules (typically with $D_{2h}$ symmetry) take into account couplings between their uniaxial and biaxial tensors. While the attractive contributions arising from interactions between similar tensors of the participating molecules provide for eventual condensation of the respective orders at suitably low temperatures, the role of cross-coupling between unlike tensors is not fully appreciated. Our recent study with an advanced Monte Carlo technique (entropic sampling) showed clearly the increasing relevance of this cross term in determining the phase diagram, contravening in some regions of model parameter space, the predictions of mean field theory and standard Monte Carlo simulation results. In this context, we investigated the phase diagrams and the nature of the phases therein, on two trajectories in the parameter space: one is a line in the interior region of biaxial stability believed to be representative of the real systems, and the second is the extensively investigated parabolic path resulting from the London dispersion approximation. In both the cases, we find the destabilizing effect of increased cross-coupling interactions, which invariably result in the formation of local biaxial organizations inhomogeneously distributed. This manifests as a small, but unmistakable, contribution of biaxial order in the uniaxial phase.The free energy profiles computed in the present study as a function of the two dominant order parameters indicate complex landscapes, reflecting the difficulties in the ready realization of the biaxial phase in the laboratory.Comment: 23 pages, 12 figure

Relativistic and correlation effects in atoms

This review article deals with some case studies of relativistic and correlation effects in atomic systems. After a brief introduction to relativistic many-electron theory, a number of applications ranging from correlation energy to parity non-conservation in atoms are considered. There is a special emphasis on relativistic coupled-cluster theory as most of the results presented here are based on it.Comment: Review article, 4 eps figures, latex 2

Unravelling the Nuclear Dust Morphology of NGC 1365: A Two Phase Polar - RAT Model for the Ultraviolet to Infrared Spectral Energy Distribution

We present a 3D radiative transfer model for the Spectral Energy Distribution (SED) of NGC 1365, which is a "changing look" Seyfert 1.8 type AGN. The SED from the ultraviolet (UV) to the infrared (IR) is constructed using archival data from the UVIT on-board $AstroSat$, along with IR data from the literature. The SKIRT radiative transfer code is used to model the SED and derive the geometry and composition of dust in this AGN. Similar to our earlier SED model of NGC 4151, the nuclear region of NGC 1365 is assumed to contain a ring or disk-like structure concentric to the accretion disk, composed of large (0.1$\mu$m - 1$\mu$m) graphite grains in addition to the two-phase dusty torus made up of ISM-type grains (Ring And Torus or RAT model). We also include, for the first time, an additional component of dusty wind in the form of a bipolar cone. We carry out a detailed analysis and derive the best-fit parameters from a $\chi^2$ test to be $R_{\rm in,r}$ = 0.03 pc, $\sigma$ = 26$^\circ$ and $\tau$ = 20 for the assumed ring-torus-polar wind geometry. Our results suggest the presence of hot dust at a temperature T $\sim$ 1216 K at the location of the ring which absorbs and scatters the incident UV radiation and emits in the near-IR (NIR). In the mid-IR (MIR) the major contributors are the polar cone and warm dust with T $\sim$ 916 K at $R_{\rm in,t}$ = 0.1 pc. Not only are our model radii in agreement with IR interferometric observations, our study also reiterates the role of high resolution UV observations in constraining the dust grain size distribution in the nuclear regions of AGN.Comment: 10 pages, 14 Figures, Table 5, Accepted for publication in MNRA

Probing CP violation with the electric dipole moment of atomic mercury

The electric dipole moment of atomic $^{199}$Hg induced by the nuclear Schiff moment and tensor-pseudotensor electron-nucleus interactions has been calculated. For this, we have developed and employed a novel method based on the relativistic coupled-cluster theory. The results of our theoretical calculations combined with the latest experimental result of $^{199}$Hg electric dipole moment, provide new bounds on the T reversal or CP violation parameters $\theta_{\rm QCD}$, the tensor-pseudotensor coupling constant $C_T$ and $(\widetilde{d}_u - \widetilde{d}_d)$. This is the most accurate calculation of these parameters to date. We highlight the the crucial role of electron correlation effects in their interplay with the P,T violating interactions. Our results demonstrate substantial changes in the results of earlier calculations of these parameters which can be attributed to the more accurate inclusion of important correlation effects in the present work.Comment: 4 pages and 1 figur