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Physical Review E

Numerical validation of the quantum lattice Boltzmann scheme in two and three dimensions

Silvia Palpacelli, Sauro Succi A

Published Jun 15, 2007• 52 citations
Publisher

Abstract

The multidimensional formulation of the quantum lattice Boltzmann (QLB) scheme is validated against analytical solutions of the time-dependent nonrelativistic Schrödinger equation in two and three spatial dimensions. As a result, we demonstrate the viability of the quantum lattice Boltzmann scheme for the numerical solution of the time-dependent Schrödinger equation in multiple spatial dimensions. In addition, the links between the QLB scheme and sequential splitting methods for partial differential equations are also clarified.

DOI
10.1103/physreve.75.066704

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The multidimensional formulation of the quantum lattice Boltzmann (QLB) scheme is validated against analytical solutions of the time-dependent nonrelativistic Schrödinger equation in two and three spatial dimensions. As a result, we demonstrate the viability of the quantum lattice Boltzmann scheme for the numerical solution of the time-dependent Schrödinger equation in multiple spatial dimensions. In addition, the links between the QLB scheme and sequential splitting methods for partial differential equations are also clarified.
Numerical simulations with previous formulations of the quantum lattice Boltzmann (QLB) scheme in three spatial dimensions showed significant lack of isotropy. In two or more spatial dimensions the QLB approach relies upon operator splitting to decompose the time evolution into a sequence of applications of the one-dimensional QLB scheme along coordinate axes. Each application must be accompanied by a rotation of the wave function into a basis of chiral eigenstates aligned along the relevant axis. The previously observed lack of isotropy was due to an inconsistency in the application of these rotations. Once this inconsistency is removed, the QLB scheme is shown to exhibit isotropic behavior to within a numerical error that scales approximately linearly with the lattice spacing. This establishes the viability of the QLB approach in two and three spatial dimensions.
The multidimensional formulation of the quantum lattice Boltzmann (qLB) scheme is extended to the case of nonlinear quantum wave equations. More specifically, imaginary-time formulations of the qLB scheme are developed and applied to the numerical computation of the ground state of the Gross-Pitaevskii equation in one and two spatial dimensions. The calculation is validated through detailed comparison with other numerical methods, as well as with analytical results based on the Thomas-Fermi approximation. The linear scaling of the time-step size with the spatial mesh spacing, a distinctive feature of the present quantum kinetic approach, is also numerically demonstrated.
The derivation of the quantum lattice Boltzmann model is reviewed with special emphasis on recent developments of the model, namely, the extension to a multi-dimensional formulation and the application to the computation of the ground state of the Gross-Pitaevskii equation (GPE). Numerical results for the linear and nonlinear Schrödinger equation and for the ground state solution of the GPE are also presented and validated against analytical results or other classical schemes such as Crank-Nicholson.
Lattice Boltzmann (LB) methods have proven to be powerful tools for simulating classical physical systems such as waves, diffusion and fluid dynamics. For quantum mechanics in one dimension there are two main schemes: one proposed by Meyer, where the Schrödinger equation is interpreted as a diffusion equation with imaginary diffusion constant; the other, proposed by Succi, is based on the Dirac equation, which in the mesoscopic limit reproduces the non-relativistic quantum behaviour in a similar way to lattice Boltzmann models for fluids. In the present work we compare these models by testing the quantum time evolution of a free Gaussian wavepacket. It is found to be in close correspondence with the results of the two models. Time oscillations are found both for the mean and variance of the wavepacket. Also we found their dependences from factors not present in the predicted values. These elements could provide clues for developing a good adaptation of lattice Boltzmann method for the quantum world.