Related papers: Infrared spectroscopy of diatomic molecules - a fr…
The fractional calculus is useful to model non-local phenomena. We construct a method to evaluate the fractional Caputo derivative by means of a simple explicit quadratic segmentary interpolation. This method yields to numerical resolution…
Fractional derivative can be defined as a fractional power of derivative. The commutator (i/h)[H, ], which is used in the Heisenberg equation, is a derivation on a set of observables. A derivation is a map that satisfies the Leibnitz rule.…
Quantum computers are ideal for solving chemistry problems due to their polynomial scaling with system size in contrast to classical computers which scale exponentially. Until now molecular energy calculations using quantum computing…
A spectral decomposition method is used to obtain solutions to a class of nonlinear differential equations. We extend this approach to the analysis of the fractional form of these equations and demonstrate the method by applying it to the…
In quantum mechanics, the space-fractional Schr\"{o}dinger equation provides a natural extension of the standard Schr\"{o}dinger equation when the Brownian trajectories in Feynman path integrals are replaced by Levy flights. Here an optical…
The spectrum of r-1 and r-2 type potentials of diatomic molecules in radial Schrodinger equation are calculated by using the formalism of asymptotic iteration method. The alternative method is used to solve eigenvalues and eigenfunctions of…
We present a spectral method for one-sided linear fractional integral equations on a closed interval that achieves exponentially fast convergence for a variety of equations, including ones with irrational order, multiple fractional orders,…
A covariant non-local extention if the stationary Schr\"odinger equation is presented and it's solution in terms of Heisenbergs's matrix quantum mechanics is proposed. For the special case of the Riesz fractional derivative, the calculation…
We introduce a fractional theory of the calculus of variations for multiple integrals. Our approach uses the recent notions of Riemann-Liouville fractional derivatives and integrals in the sense of Jumarie. Main results provide fractional…
In this paper, we introduce a new method for calculating fractional integrals and differentials. The method involves an equation that we have obtained from infinite applied integration by parts. The equation works for special class of…
In the present work we consider the electromagnetic wave equation in terms of the fractional derivative of the Caputo type. The order of the derivative being considered is 0 <\gamma<1. A new parameter \sigma, is introduced which…
We consider the fractional oscillator being a generalization of the conventional linear oscillator in the framework of fractional calculus. It is interpreted as an ensemble average of ordinary harmonic oscillators governed by stochastic…
In this paper, we explore the integrable fractional derivative nonlinear Schr\"odinger (fDNLS) equation by using the inverse scattering transform. Firstly, we start from the recursion operator and obtain a formal fDNLS equation. Then the…
Based on the Caputo fractional derivative the classical, non relativistic Hamiltonian is quantized leading to a fractional Schroedinger type wave equation. The free particle solutions are localized in space. Solutions for the infinite well…
Application of the fractional calculus to quantum processes is presented. In particular, the quantum dynamics is considered in the framework of the fractional time Schr\"odinger equation (SE), which differs from the standard SE by the…
The fully polarizable QM/MM approach based on fluctuating charges and fluctuating dipoles, named QM/FQF{\mu} (J. Chem. Theory Comput. 2019, 15, 2233-2245), is extended to the evaluation of nuclear gradients and the calculation of IR spectra…
In this paper, the fractional differential matrices based on the Jacobi-Gauss points are derived with respect to the Caputo and Riemann-Liouville fractional derivative operators. The spectral radii of the fractional differential matrices…
Employing the phase-space representation of second order ordinary differential equations we developed a method to find the eigenvalues and eigenfunctions of the 1-dimensional time independent Schr\"odinger equation for quantum model…
In this paper, we study a Dirac boundary value problem where the operator is considered with a derivative of order $\alpha \in (0, 1]$, known as the $F^{\alpha}$-derivative. We prove some spectral properties of eigenvalues and…
We study the fundamental problem of the calculus of variations with variable order fractional operators. Fractional integrals are considered in the sense of Riemann-Liouville while derivatives are of Caputo type.