Solution of the time-dependent Schrödinger equation for highly symmetric potentials

DOI10.1016/S0010-4655(99)00524-XMaRDI QIDQ1573071zbMATH OpenFDO

Authors Burkhard Schmidt, Petra Ruth Kaprálová-Žďánská

Publication date 16 July 2001

Published in Computer Physics Communications (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/S0010-4655(99)00524-X

zbMATH Keywords

highly symmetric potentialsspherical harmonicsstabilitysymmetry adapted wave packetstime dependent Schrödinger equation

Mathematics Subject Classification ID

NLS equations (nonlinear Schrödinger equations) (35Q55) Stability and convergence of numerical methods for initial value and initial-boundary value problems involving PDEs (65M12) Spectral, collocation and related methods for initial value and initial-boundary value problems involving PDEs (65M70)

Review text

The authors introduce the method of symmetry adapted wavepackets to solve the time-dependent Schrödinger equation for a highly symmetry potential energy surface. Various techniques to generate symmetry adapted spherical harmonics for the point groups of highest symmetry (octahedral, icosahedral) are discussed. Two methods to overcome numerical instabilities occuring for large azimuthal quantum numbers are suggested.

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