Grid-based electronic structure calculations: The tensor decomposition approach

Self-Consistent Equations Including Exchange and Correlation Effects

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Self-interaction correction to density-functional approximations for many-electron systems

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Iterative minimization techniques for<i>ab initio</i>total-energy calculations: molecular dynamics and conjugate gradients

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NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations

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A Multilinear Singular Value Decomposition

Lieven De Lathauwer, Bart De Moor, Joos Vandewalle · SIAM Journal on Matrix Analysis and Applications · 2000 · 4.2K citations · Full text

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