From quantum to classical molecular dynamics: Reduced models and numerical analysis.

DOI10.4171/067zbMATH Open1160.81001OpenAlexW1515678755MaRDI QIDQ946902FDOQ946902

Authors: Christian Lubich 

Publication date: 26 September 2008

Published in: Zurich Lectures in Advanced Mathematics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.4171/067

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zbMATH Keywords

quantum molecular dynamics

Mathematics Subject Classification ID

Research exposition (monographs, survey articles) pertaining to mechanics of particles and systems (70-02) Research exposition (monographs, survey articles) pertaining to quantum theory (81-02) Molecular physics (81V55) Research exposition (monographs, survey articles) pertaining to statistical mechanics (82-02)

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• The frame bundle picture of Gaussian wave packet dynamics in semiclassical mechanics
• Splitting in Potential Finite-Difference Schemes with Discrete Transparent Boundary Conditions for the Time-Dependent Schrödinger Equation
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• A study of defect-based error estimates for the Krylov approximation of \(\varphi\)-functions
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