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Fundamental theories of physics

Time-Dependent Schrödinger Equation and Gaussian Wave Packets

Dieter Schuch

Published Jan 1, 2018• 0 citations
Publisher
DOI
10.1007/978-3-319-65594-9_2

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In the present paper we consider the semiclassical magnetic Schrödinger equation, which describes the dynamics of particles under the influence of a magnetic field. The solution of the Schrödinger equation is approximated by Gaussian wave packets via the time-dependent variational formulation by Dirac and Frenkel. For the numerical approximation we derive ordinary differential equations for the parameters of the variational solution. Moreover, we prove L2L^2L2-error bounds and observable error bounds for the approximating Gaussian wave packet.
Abstract Fifty years ago Kostin (J Chem Phys 57(9):3589–3591, 1972. https://doi.org/10.1063/1.1678812 ) proposed a description of damping in quantum mechanics based on a nonlinear Schrödinger equation with the potential being governed by the phase of the wave function. We show for the example of a moving Gaussian wave packet, that the deceleration predicted by this equation is the result of the same non-dissipative, homogeneous but time-dependent force, that also stops a classical particle. Moreover, we demonstrate that the Kostin equation is a special case of the linear Schrödinger equation with three potentials: (i) a linear potential corresponding to this stopping force, (ii) an appropriately time-dependent parabolic potential governed by a specific time dependence of the width of the Gaussian wave packet and (iii) a specific time-dependent off-set. The freedom of the width opens up the possibility of engineering the final state by the time dependence of the quadratic potential. In this way the Kostin equation is a precursor of the modern field of coherent control. Motivated by these insights, we analyze in position and in phase space the deceleration of a Gaussian wave packet due to potentials in the linear Schrödinger equation similar to those in the Kostin equation.