A bunch of time integrators for quantum/classical molecular dynamics

DOI10.1007/978-3-642-58360-5_24MaRDI QIDQ2712886zbMATH OpenFDO

Authors Marlis Hochbruck, Christian Lubich

Publication date 21 August 2001

Published in Lecture Notes in Computational Science and Engineering (Search for Journal in Brave)

Full work available at URL https://publikationen.bibliothek.kit.edu/1000042323

zbMATH Keywords

Car-Parrinello equationsLanczos' methodmatrix-function vector productsNewtonian dynamicsquantum-classical molecular dynamics

Mathematics Subject Classification ID

(n)-body problems (70F10) Software, source code, etc. for problems pertaining to quantum theory (81-04) Computational methods for problems pertaining to quantum theory (81-08) Molecular physics (81V55)

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Cited in

(11)

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• Long-Time-Step Integrators for Almost-Adiabatic Quantum Dynamics
• scientific article; zbMATH DE number 745264 (Why is no real title available?)
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