Optical properties of perovskite alkaline earth titanates : a formulation

In this communication we suggest a formulation of the optical conductivity as a convolution of an energy resolved joint density of states and an energy-frequency labelled transition rate. Our final aim is to develop a scheme based on the augmented space recursion for random systems. In order to gain confidence in our formulation, we apply the formulation to three alkaline earth titanates CaTiO_3, SrTiO_3 and BaTiO_3 and compare our results with available data on optical properties of these systems.Comment: 19 pages, 9 figures, Submitted to Journal of Physics: Condensed Matte

Reinforcement learning or active inference?

This paper questions the need for reinforcement learning or control theory when optimising behaviour. We show that it is fairly simple to teach an agent complicated and adaptive behaviours using a free-energy formulation of perception. In this formulation, agents adjust their internal states and sampling of the environment to minimize their free-energy. Such agents learn causal structure in the environment and sample it in an adaptive and self-supervised fashion. This results in behavioural policies that reproduce those optimised by reinforcement learning and dynamic programming. Critically, we do not need to invoke the notion of reward, value or utility. We illustrate these points by solving a benchmark problem in dynamic programming; namely the mountain-car problem, using active perception or inference under the free-energy principle. The ensuing proof-of-concept may be important because the free-energy formulation furnishes a unified account of both action and perception and may speak to a reappraisal of the role of dopamine in the brain

Wigner functions in covariant and single-time formulations

We will establish the connection between the Lorentz covariant and so-called single-time formulation for the quark Wigner operator. To this end we will discuss the initial value problem for the Wigner operator of a field theory and give a discussion of the gauge-covariant formulation for the Wigner operator including some new results concerning the chiral limit. We discuss the gradient or semi-classical expansion and the color and spinor decomposition of the equations of motion for the Wigner operator. The single-time formulation will be derived from the covariant formulation by taking energy moments of the equations for the Wigner operator. For external fields we prove that only the lowest energy moments of the quark Wigner operator contain dynamical information.Comment: 92 pages, to appear in Annals of Physics (N.Y.

Palatini formulation of the R−1R^{-1}modified gravity with an additionally squared scalar curvature term

In this paper by deriving the Modified Friedmann equation in the Palatini formulation of $R^2$ gravity, first we discuss the problem of whether in Palatini formulation an additional $R^2$ term in Einstein's General Relativity action can drive an inflation. We show that the Palatini formulation of $R^2$ gravity cannot lead to the gravity-driven inflation as in the metric formalism. If considering no zero radiation and matter energy densities, we obtain that only under rather restrictive assumption about the radiation and matter energy densities there will be a mild power-law inflation $a(t)\sim t^2$, which is obviously different from the original vacuum energy-like driven inflation. Then we demonstrate that in the Palatini formulation of a more generally modified gravity, i.e., the $1/R+R^2$ model that intends to explain both the current cosmic acceleration and early time inflation, accelerating cosmic expansion achieved at late Universe evolution times under the model parameters satisfying $\alpha\ll\beta$.Comment: 14 pages, accepted for publication by CQ

On the calculation of the stress tensor in real-space Kohn-Sham Density Functional Theory

We present an accurate and efficient formulation of the stress tensor for real-space Kohn-Sham Density Functional Theory (DFT) calculations. Specifically, while employing a local formulation of the electrostatics, we derive a linear-scaling expression for the stress tensor that is applicable to simulations with unit cells of arbitrary symmetry, semilocal exchange-correlation functionals, and Brillouin zone integration. In particular, we rewrite the contributions arising from the self energy and the nonlocal pseudopotential energy to make them amenable to the real-space finite-difference discretization, achieving up to three orders of magnitude improvement in the accuracy of the computed stresses. Using examples representative of static and dynamic calculations, we verify the accuracy and efficiency of the proposed formulation. In particular, we demonstrate high rates of convergence with spatial discretization, consistency between the computed energy and stress tensor, and very good agreement with reference planewave results.Comment: 16 pages, 5 figures, 2 table