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■ Abbreviation / Long Form : NO / natural orbital

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Abbreviation:   NO  (>> Co-occurring Abbreviation)
Long Form:   natural orbital
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No. Year Title Co-occurring Abbreviation
2017 Frozen Virtual Natural Orbitals for Coupled-Cluster Linear-Response Theory. CMO
2016 Using the GVB Ansatz to develop ensemble DFT method for describing multiple strongly correlated electron pairs. DFT, FONs, GVB, KS, RDMFT, REKS
2014 Compact two-electron wave function for bond dissociation and Van der Waals interactions: a natural amplitude assessment. ---
2013 A natural orbital analysis of the long range behavior of chemical bonding and van der Waals interaction in singlet H2: the issue of zero natural orbital occupation numbers. ---
2013 An efficient linear-scaling CCSD(T) method based on local natural orbitals. CC, LMOs
2013 Natural occupation numbers: when do they vanish? ---
2011 A general-order local coupled-cluster method based on the cluster-in-molecule approach. CC, CCSD, MOs
2010 Aufbau derived from a unified treatment of occupation numbers in Hartree-Fock, Kohn-Sham, and natural orbital theories with the Karush-Kuhn-Tucker conditions for the inequality constraints n(i)or=0. KS
2007 Discovery of singlet diradicals: theoretical study on the cage species C14N12-H6 and its six derivatives. AIM, HEDM, NBO