量子化学中的压缩感知：少量计算大有可为。 - Suppr

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Compressive Sensing in Quantum Chemistry: A Little Computation Goes a Long Way.

作者信息

Beran Gregory J O

机构信息

Department of Chemistry, University of California , Riverside, California 92521, United States.

出版信息

ACS Cent Sci. 2015 Mar 25;1(1):14-5. doi: 10.1021/acscentsci.5b00062. Epub 2015 Mar 23.

DOI:10.1021/acscentsci.5b00062

PMID:27162940

原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC4827478/

Abstract

摘要

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b517/4827478/82172fd7e39b/oc-2015-00062t_0001.jpg

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本文引用的文献

Compressed Sensing for the Fast Computation of Matrices: Application to Molecular Vibrations.

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Communication: Tensor hypercontraction. III. Least-squares tensor hypercontraction for the determination of correlated wavefunctions.

J Chem Phys. 2012 Dec 14;137(22):221101. doi: 10.1063/1.4768241.

Application of compressed sensing to the simulation of atomic systems.

Proc Natl Acad Sci U S A. 2012 Aug 28;109(35):13928-33. doi: 10.1073/pnas.1209890109. Epub 2012 Aug 13.

Low-order tensor approximations for electronic wave functions: Hartree-Fock method with guaranteed precision.

J Chem Phys. 2011 Mar 14;134(10):104104. doi: 10.1063/1.3560091.

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J Chem Phys. 2011 Jan 28;134(4):044123. doi: 10.1063/1.3528935.

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本文引用的文献

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Proc Natl Acad Sci U S A. 2012 Aug 28;109(35):13928-33. doi: 10.1073/pnas.1209890109. Epub 2012 Aug 13.

Low-order tensor approximations for electronic wave functions: Hartree-Fock method with guaranteed precision.

J Chem Phys. 2011 Mar 14;134(10):104104. doi: 10.1063/1.3560091.

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