Template:Cite: Difference between revisions
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link=https://doi.org/10.1063/1.479451 | link=https://doi.org/10.1063/1.479451 | ||
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Reference|key=dewijs:jcp: | Reference|key=dewijs:jcp:2013|show={{{1}}}| | ||
bib=F. Vasconcelos, G.A. de Wijs, R. W. A. Havenith, M. Marsman, G. Kresse, ''Finite-field implementation of NMR chemical shieldings for molecules: Direct and converse gauge-including projector-augmented-wave methods'', J. Chem. Phys. '''139''', 014109 (2013).| | bib=F. Vasconcelos, G.A. de Wijs, R. W. A. Havenith, M. Marsman, G. Kresse, ''Finite-field implementation of NMR chemical shieldings for molecules: Direct and converse gauge-including projector-augmented-wave methods'', J. Chem. Phys. '''139''', 014109 (2013).| | ||
link=https://doi.org/10.1063/1.4810799 | link=https://doi.org/10.1063/1.4810799 | ||
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Reference|key=dewijs:jcp: | Reference|key=dewijs:jcp:2021|show={{{1}}}| | ||
bib=G.A. de Wijs, G. Kresse, R. W. A. Havenith, M. Marsman, ''Comparing GIPAW with numerically exact chemical shieldings: The role of two-center contributions to the induced current'', J. Chem. Phys. '''155''', 234101 (2021).| | bib=G.A. de Wijs, G. Kresse, R. W. A. Havenith, M. Marsman, ''Comparing GIPAW with numerically exact chemical shieldings: The role of two-center contributions to the induced current'', J. Chem. Phys. '''155''', 234101 (2021).| | ||
link=https://doi.org/10.1063/5.0069637 | link=https://doi.org/10.1063/5.0069637 | ||
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Reference|key=dewijs:laskowski:jcp:2017|show={{{1}}}| | Reference|key=dewijs:laskowski:jcp:2017|show={{{1}}}| | ||
bib=G. A. de Wijs, R. Laskowski, P. Blaha, R. W. A. Havenith, G. Kresse, M. Marsman, 'NMR shieldings from density functional perturbation theory: GIPAW versus all-electron calculations'', J. Chem. Phys. '''146''', 064115 (2017).| | bib=G. A. de Wijs, R. Laskowski, P. Blaha, R. W. A. Havenith, G. Kresse, M. Marsman, ''NMR shieldings from density functional perturbation theory: GIPAW versus all-electron calculations'', J. Chem. Phys. '''146''', 064115 (2017).| | ||
link=https://doi.org/10.1063/1.4975122 | link=https://doi.org/10.1063/1.4975122 | ||
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Reference|key=avezac:prb:2007|show={{{1}}}| | |||
bib=M. d'Avezac, N. Marzari, F. Mauri, ''Spin and orbital magnetic response in metals: Susceptibility and NMR shifts'', Phys. Rev. B '''76''', 165122 (2007).| | |||
link=https://doi.org/10.1103/PhysRevB.76.165122 | |||
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Reference|key=dewijs:havenith:jcp:2021|show={{{1}}}| | |||
bib=G.A. de Wijs, G. Kresse, R. W. A. Havenith, M. Marsman, ''Spin and orbital magnetic response in metals: Susceptibility and NMR shifts'', J. Chem. Phys. '''155''', 234101 (2021).| | |||
link=https://doi.org/10.1063/5.0069637 | |||
}} | }} | ||
Revision as of 09:01, 26 February 2025
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