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Tensor decomposition in post-Hartree-Fock methods. II. CCD implementation.
J Chem Phys. 2013 Dec 14;139(22):224101. doi: 10.1063/1.4833565.
J Chem Phys. 2013.
PMID: 24329050
Tensor representation techniques for full configuration interaction: A Fock space approach using the canonical product format.
Böhm KH, Auer AA, Espig M.
Böhm KH, et al.
J Chem Phys. 2016 Jun 28;144(24):244102. doi: 10.1063/1.4953665.
J Chem Phys. 2016.
PMID: 27369492
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Identifying stereoisomers by ab-initio calculation of secondary isotope shifts on NMR chemical shieldings.
Böhm KH, Banert K, Auer AA.
Böhm KH, et al.
Molecules. 2014 Apr 23;19(4):5301-12. doi: 10.3390/molecules19045301.
Molecules. 2014.
PMID: 24762967
Free PMC article.
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