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Theoretical and Computational Chemistry

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Tensor Hyper-Contraction

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2 results in Keywords: Tensor Hyper-Contraction

Theoretical and Computational Chemistry

An Automatic Differentiation and Diagrammatic Notation Approach for Developing Analytical Gradients of Tensor Hyper-Contracted Electronic Structure Methods

Chenchen Song, Todd J. Martínez, Jeffrey B. Neaton

Version 1 posted 25 September 2020

520

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Theoretical and Computational Chemistry

Reduced Scaling Formulation of CASPT2 Analytical Gradients Using the Supporting Subspace Method

Chenchen Song, Jeffrey B. Neaton, Todd J. Martínez

Version 1 posted 29 October 2020

467

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