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Using automatic differentiation to compute derivatives for a quantum-chemical computer program

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Thiel,  W.
Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society;
Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society;

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Steiger, R., Bischof, C. H., Lang, B., & Thiel, W. (2005). Using automatic differentiation to compute derivatives for a quantum-chemical computer program. Future Generation Computer Systems, 21(8), 1324-1332. doi:10.1016/j.future.2004.11.011.


Cite as: http://hdl.handle.net/11858/00-001M-0000-000F-95D9-4
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