Linear-scaling method for calculating nuclear magnetic...

Linear-scaling method for calculating nuclear magnetic resonance chemical shifts using gauge-including atomic orbitals within Hartree-Fock and density-functional theory

Kussmann, Jörg, Ochsenfeld, Christian
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Volume:
127
Year:
2007
Language:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.2749509
File:
PDF, 370 KB
english, 2007
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