Comment on Inverse problem from discrete spectrum in the D = 2 dimensional space (2014 Phys. Scr. 989 085201)

We analyse a method for the construction of the potential-energy function from the moments of the ground-state density. The sum rule on which some expressions are based appear to be wrong, as well as the moments and potential-energy functions derived for some illustrative examples.

Stabilization of a class of underactuated Euler Lagrange system using an approximate model

The energy shaping method, Controlled Lagrangian, is a well-known approach to stabilize the underactuated Euler Lagrange (EL) systems. In this approach, to construct a control rule, some nonlinear and nonhomogeneous partial differential equations (PDEs), which are called matching conditions, must be solved. In this paper, a method is proposed to obtain an approximate solution of these matching conditions for a class of underactuated EL systems. To develop this method, the potential energy matching condition is transformed to a set of linear PDEs using an approximation of inertia matrices. Hence, the assignable potential energy function and the controlled inertia matrix both are constructed as a common solution of these PDEs. Subsequently, the gyroscopic and dissipative forces are determined as the solution for kinetic energy matching condition. Conclusively, the control rule is constructed by adding energy shaping rule and additional dissipation injection to provide asymptotic stability. The stability analysis of the closed-loop system which used the control rule derived with the proposed method is also provided. To demonstrate the success of the proposed method, the stability problem of the inverted pendulum on a cart is considered.

Differential model of friction based on bristle model and phase-transition theory

For high-precision position and angle control in robots, it is essential to compensate for the hysteretic behaviour caused by friction when the motion direction is reversed. An accurate friction model which is suitable for control system analysis and implementation is highly desirable. A differential model is proposed in the current paper for the modelling of hysteresis effects caused by friction phenomena. The model is constructed by employing a phenomenological phase-transition theory to mimic the friction mechanism. The bristle friction mechanism is adapted. The switching between static and dynamic friction is regarded as a reversible phase-transition phenomenon, which could be characterized by the local minima of a non-convex potential energy function. The Stribeck effect and the hysteretic relation between friction and velocity are modelled by a nonlinear ordinary differential equation. The comparison of the numerical simulation results and existing experimental friction data are presented. It is illustrated that the friction hysteresis loops are well captured, the capability of the proposed model is verified.

Eigensolution to Morse potential for Scandium and Nitrogen monoiodides

The solutions for Morse potential energy function under the influence of Schr¨odinger equation are examined using supersymmetric approach. The energy equation obtained was used to generate eigenvalues forX1 +state of scandium monoiodide (ScI) and X3 state of nitrogen monoiodide (NI) respectively were obtained by imputing their respective spectroscopic parameters. The calculated results for the two molecules aligned excellently with the predicted/observed values.

Thermodynamics of galaxy clusters in modified Newtonian potential

We study the thermodynamics of galaxy clusters in a modified Newtonian potential motivated by a general solution to Newton’s “sphere-point” equivalence theorem. We obtain the N particle partition function by evaluating the configurational integral while accounting for the extended nature of galaxies (via the inclusion of the softening parameter ε into the potential energy function). This softening parameter takes care of the galaxy-halos whose effect on structuring the shape of the galactic disc has been found recently. The spatial distribution of the particles (galaxies) is also studied in this framework. A comparison of the new clustering parameter b + to the original clustering parameters is presented in order to visualize the effect of the modified gravity. We also discuss the possibility of system symmetry breaking via the behavior of the specific heat as a function of temperature.

Elevating density functional theory to chemical accuracy for water simulations through a density-corrected many-body formalism

Density functional theory (DFT) has been extensively used to model the properties of water. Albeit maintaining a good balance between accuracy and efficiency, no density functional has so far achieved the degree of accuracy necessary to correctly predict the properties of water across the entire phase diagram. Here, we present density-corrected SCAN (DC-SCAN) calculations for water which, minimizing density-driven errors, elevate the accuracy of the SCAN functional to that of “gold standard” coupled-cluster theory. Building upon the accuracy of DC-SCAN within a many-body formalism, we introduce a data-driven many-body potential energy function, MB-SCAN(DC), that quantitatively reproduces coupled cluster reference values for interaction, binding, and individual many-body energies of water clusters. Importantly, molecular dynamics simulations carried out with MB-SCAN(DC) also reproduce the properties of liquid water, which thus demonstrates that MB-SCAN(DC) is effectively the first DFT-based model that correctly describes water from the gas to the liquid phase.

Elevating Density Functional Theory to Chemical Accuracy for Water Simulations through a Density-Corrected Many-Body Formalism

Density functional theory (DFT) has been extensively used to model the properties of water. Albeit maintaining a good balance between accuracy and efficiency, no density functional has so far achieved the degree of accuracy necessary to correctly predict the properties of water across the entire phase diagram. Here, we present density-corrected SCAN (DC-SCAN) calculations for water which, minimizing density-driven errors, elevate the accuracy of the SCAN functional to that of “gold standard” coupled-cluster theory. Building upon the accuracy of DC-SCAN within a many-body formalism, we introduce a data-driven many-body potential energy function, MB-SCAN(DC), that quantitatively reproduces coupled cluster reference values for interaction, binding, and individual many-body energies of water clusters. Importantly, molecular dynamics simulations carried out with MB-SCAN(DC) also reproduce the properties of liquid water, which thus demonstrates that MB-SCAN(DC) is effectively the first DFT-based model that correctly describes water from the gas to the liquid phase.

Minimum-uncertainty coherent states of the hyperbolic and trigonometric Rosen–Morse oscillators

A mixed supersymmetric-algebraic approach is employed to generate the minimum uncertainty coherent states of the hyperbolic and trigonometric Rosen–Morse oscillators. The method proposed produces the superpotentials, ground state eigenfunctions and associated eigenvalues as well as the Schrödinger equation in the factorized form amenable to direct treatment in the algebraic or supersymmetric scheme. In the standard approach the superpotentials are calculated by solution of the Riccati equation for the given form of potential energy function or by differentiation of the ground state eigenfunction. The procedure applied is general and permits derivation the exact analytical solutions and coherent states for the most important model oscillators employed in molecular quantum chemistry, coherent spectroscopy (femtochemistry) and coherent nonlinear optics.