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The Gaussian and augmented-plane-wave density functional method for ab initio molecular dynamics simulations.

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Lippert,  G.
Former Departments, Max Planck Institute for Solid State Research, Max Planck Society;

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Hutter,  J.
Former Departments, Max Planck Institute for Solid State Research, Max Planck Society;

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Parrinello,  M.
Former Departments, Max Planck Institute for Solid State Research, Max Planck Society;

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Lippert, G., Hutter, J., & Parrinello, M. (1999). The Gaussian and augmented-plane-wave density functional method for ab initio molecular dynamics simulations. Theoretical Chemistry Accounts, 103, 124-140.


Cite as: https://hdl.handle.net/21.11116/0000-000E-DA26-2
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