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Analysis of and remedies for unphysical ground states of the multireference averaged coupled-pair functional
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10.1063/1.4861035
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    Affiliations:
    1 Department of Chemistry, Princeton University, Princeton, New Jersey 08544-1009, USA
    2 Department of Chemical and Biological Engineering, Princeton University, Princeton, New Jersey 08544-5263, USA
    3 Institute for Theoretical Physics, Vienna University of Technology, Vienna, Austria
    4 Department of Mechanical and Aerospace Engineering, Princeton University, Princeton, New Jersey 08544-5263, USA; Program in Applied and Computational Mathematics, Princeton University, Princeton, New Jersey 08544, USA; and Andlinger Center for Energy and the Environment, Princeton University, Princeton, New Jersey 08544-5263, USA
    J. Chem. Phys. 140, 024102 (2014); http://dx.doi.org/10.1063/1.4861035
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/content/aip/journal/jcp/140/2/10.1063/1.4861035
2014-01-08
2014-08-23
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Analysis of and remedies for unphysical ground states of the multireference averaged coupled-pair functional
http://aip.metastore.ingenta.com/content/aip/journal/jcp/140/2/10.1063/1.4861035
10.1063/1.4861035
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