Grid-based electronic structure calculations: The tensor decomposition approach
نویسندگان
چکیده
منابع مشابه
Tensor decomposition in electronic structure calculations on 3D Cartesian grids
Modern problems of physical chemistry lead to computations of many-particle potentials and related integral transforms, involving quantities described by higher-order tensors. Conventional numerical treatment of these problems suffers from the so-called “curse of dimensionality”. Recently developed Tucker and canonical tensor approximation techniques provide structured data-sparse representatio...
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ژورنال
عنوان ژورنال: Journal of Computational Physics
سال: 2016
ISSN: 0021-9991
DOI: 10.1016/j.jcp.2016.02.023