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Register a new userAn adaptive-size multi-domain pseudospectral approach for solving the time-dependent Schrodinger equation
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We show that a pseudospectral representation of the wavefunction using multiple spatial domains of variable size yields a highly accurate, yet efficient method to solve the time-dependent Schrodinger equation. The overall spatial domain is split into non-overlapping intervals whose size is chosen according to the local de Broglie wavelength. A multi-domain weak formulation of the Schrodinger equation is obtained by representing the wavefunction by Lagrange polynomials with compact support in each domain, discretized at the Legendre-Gauss-Lobatto points. The resulting Hamiltonian is sparse, allowing for efficient diagonalization and storage. Accurate time evolution is carried out by the Chebychev propagator, involving only sparse matrix-vector multiplications. Our approach combines the efficiency of mapped grid methods with the accuracy of spectral representations based on Gaussian quadrature rules and the stability and convergence properties of polynomial propagators. We apply this method to high-harmonic generation and examine the role of the initial state for the harmonic yield near the cutoff.
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Pseudospectral numerical schemes for solving the Dirac equation in general static curved space are derived using a pseudodifferential representation of the Dirac equation along with a simple Fourier-basis technique. Owing to the presence of non-constant coefficients in the curved space Dirac equation, convolution products usually appear when the Fourier transform is performed. The strategy based on pseudodifferential operators allows for efficient computations of these convolution products by using an ordinary fast Fourier transform algorithm. The resulting numerical methods are efficient and have spectral convergence. Simultaneously, wave absorption at the boundary can be easily derived using absorbing layers to cope with some potential negative effects of periodic conditions inherent to spectral methods. The numerical schemes are first tested on simple systems to verify the convergence and are then applied to the dynamics of charge carriers in strained graphene.
Three pseudospectral algorithms are described (Euler, leapfrog and trapez) for solving numerically the time dependent nonlinear Schroedinger equation in one, two or three dimensions. Numerical stability regions in the parameter space are determined for the cubic nonlinearity, which can be easily extended to other nonlinearities. For the first two algorithms, maximal timesteps for stability are calculated in terms of the maximal Fourier harmonics admitted by the spectral method used to calculate space derivatives. The formulas are directly applicable if the discrete Fourier transform is used, i.e. for periodic boundary conditions. These formulas were used in the relevant numerical programs developed in our group.
Using a recently developed technique to solve Schrodinger equation for constant mass, we studied the regime in which mass varies with position i.e position dependent mass Schrodinger equation(PDMSE). We obtained an analytical solution for the PDMSE and applied our approach to study a position dependent mass $m(x)$ particle scattered by a potential $mathcal{V}(x)$. We also studied the structural analogy between PDMSE and two-level atomic system interacting with a classical field.
The primary emphasis of this study has been to explain how modifying a cake recipe by changing either the dimensions of the cake or the amount of cake batter alters the baking time. Restricting our consideration to the genoise, one of the basic cakes of classic French cuisine, we have obtained a semi-empirical formula for its baking time as a function of oven temperature, initial temperature of the cake batter, and dimensions of the unbaked cake. The formula, which is based on the Diffusion equation, has three adjustable parameters whose values are estimated from data obtained by baking genoises in cylindrical pans of various diameters. The resulting formula for the baking time exhibits the scaling behavior typical of diffusion processes, i.e. the baking time is proportional to the (characteristic length scale)^2 of the cake. It also takes account of evaporation of moisture at the top surface of the cake, which appears to be a dominant factor affecting the baking time of a cake. In solving this problem we have obtained solutions of the Diffusion equation which are interpreted naturally and straightforwardly in the context of heat transfer; however, when interpreted in the context of the Schrodinger equation, they are somewhat peculiar. The solutions describe a system whose mass assumes different values in two different regions of space. Furthermore, the solutions exhibit characteristics similar to the evanescent modes associated with light waves propagating in a wave guide. When we consider the Schrodinger equation as a non-relativistic limit of the Klein-Gordon equation so that it includes a mass term, these are no longer solutions.
The Schr{o}dinger equation is solved exactly for some well known potentials. Solutions are obtained reducing the Schr{o}dinger equation into a second order differential equation by using an appropriate coordinate transformation. The Nikiforov-Uvarov method is used in the calculations to get energy eigenvalues and the corresponding wave functions.
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