Efficient Calculation of Multi-dimensional Potential Energy Surfaces of Molecules and Molecular Clusters

Michael Neff, Dominik Oschetzki, Yuriy Yudin, Yevgen Dorozhko, Natalia Currle-Linde, Michael M. Resch, Guntram Rauhut. Efficient Calculation of Multi-dimensional Potential Energy Surfaces of Molecules and Molecular Clusters. In Wolfgang E. Nagel, Dietmar H. Kröner, Michael M. Resch, editors, High Performance Computing in Science and Engineering '13, Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2013. pages 219-230, Springer, 2013. [doi]

Abstract

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