We present an atomistic simulation of the cobalt hexammine(ii/iii) self-exchange reaction using path integral (PI) methods. We construct a simple force field for the system in its reactant state that includes parameters for both atom-atom interactions, and interactions with an explicit transferring electron represented in the PI framework. We then calculate the outer sphere free energy barrier ...

This paper presents a unified view of stochastic optimal control theory as developed within the machine learning and control theory communities. In particular we show the mathematical connection between recent work on Path Integral (PI) and Kullback Leibler (KL) divergence stochastic optimal control theory with earlier work on risk sensitivity and the fundamental dualities between free energy a...

Using the one-loop functional renormalization group technique, we evaluate the self-energy in the weak-coupling regime of the 2D t-t(') Hubbard model. At van Hove (vH) band fillings and at low temperatures, the quasiparticle weight along the Fermi surface (FS) continuously vanishes on approaching the (pi,0) point where the quasiparticle concept is invalid. Away from vH band fillings the quasipa...

The Landau problem in the noncommutative plane is discussed in the context of realizations of the two-fold centrally extended planar Galilei group and the anyon theory. In 2+1 dimensions, Galilei group admits a two-fold central extension [1, 2] characterized by the algebra with the nonzero Poisson bracket relations {Ki,Pj} = mδij, {Ki,Kj} = −κǫij , (1) {Ki,H} = Pi, {J ,Pi} = ǫijPj , {J ,Ki} = ǫ...

In this paper, a method is introduced which reduces the harmonicdistortion of the inverter output current, connecting the fuelcell to the AC load. Using FUZZY LOGIC-PI (FLPI), the controllingmethod is engaged in optimum tuning of the PI controllercoefficients of this converter. This converter has only one DC-ACboost inverter and simultaneously has the task of increasingvoltage level and generat...

Aiming towards a sustainable supply chain, Physical Internet (PI) has been presented as global logistics network with standardized PI-containers. PI-nodes, and more specifically PI-hubs, are one of the key elements concept. This paper focuses on optimising operations in Road-Road PI-hub, which was not addressed literature. PI-hubs designed to transfer PI-containers between suppliers’ customers’...

Within the framework of dispersion theory, we study processes $e^+e^-\to \phi(2170) \to \phi \pi\pi(K\bar{K})$. The strong pion-pion final-state interactions, especially $K\bar{K}$ coupled channel in $S$-wave, are taken into account a model-independent way using Omn\`es function solution. Through fitting experimental data $\pi\pi$ and $\phi\pi$ invariant mass distributions $e^+e^- \pi^+\pi^-$ p...

Potential energy curves for the 28 lowest LambdaSigma states and 49 Omega states of RbCs are obtained from large-scale multireference configuration interaction calculations using both spin-averaged and two-component spin-orbit energy-consistent effective core potentials. Spectroscopic properties of all states are compared across available data in literature to date. Variations of the permanent ...