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Theoretical and Computational Chemistry

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Working Paper

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Over 3 years

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Keywords

projection-based embedding

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2 results in Keywords: projection-based embedding

Theoretical and Computational Chemistry

Automatic Partition of Orbital Spaces Based on Singular Value Decomposition in the Context of Embedding Theories

Daniel Claudino, Nicholas Mayhall

Version 2 posted 05 November 2018

1,381

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Theoretical and Computational Chemistry

Simple and Efficient Truncation of Virtual Spaces in Embedded Wave Functions via Concentric Localization

Daniel Claudino, Nicholas Mayhall

Version 2 posted 11 July 2019

591

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