An algorithm for quantum propagation through electron level crossings

MaRDI QIDQ5303120zbMATH OpenFDO

Authors Clotilde Fermanian-Kammerer, Caroline Lasser

Publication date 15 January 2009

Full work available at URL https://eudml.org/doc/10610

zbMATH Keywords

molecule pyrazine \(C_4H_4N_2\)Schrödinger equationWigner transform

Mathematics Subject Classification ID

Asymptotic behavior of solutions to PDEs (35B40) NLS equations (nonlinear Schrödinger equations) (35Q55) Applications of stochastic analysis (to PDEs, etc.) (60H30) Biomechanics (92C10)

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Cited in

(3)

• An alternative implementation of the Lanczos algorithm for wavefunction propagation
• Single switch surface hopping for molecular quantum dynamics
• Impurity bands and quasi-Bloch waves for a one-dimensional model of modulated crystal

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