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The original GIPAW paper
All-electron magnetic response with pseudopotentials: NMR
chemical shifts
Chris J. Pickard and Francesco Mauri
Phys. Rev. B 63, 245101 (2001) doi:10.1103/PhysRevB.63.245101
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EPR g-tensor
First-principles theory of the EPR g tensor in solids: Defects in
quartz
Pickard, CJ; Mauri, F,
Phys. Rev. Lett. 88, 086403 (2002)
doi:10.1103/PhysRevLett.88.086403
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NMR J-coupling
A First Principles Theory of Nuclear Magnetic Resonance J-Coupling in solid-state systems
Sian A. Joyce, Jonathan R. Yates, Chris J. Pickard, Francesco Mauri
J. Chem. Phys. 127, 204107 (2007) doi:10.1063/1.2801984
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Metallic Systems
Spin and orbital magnetic response in metals: Susceptibility and NMR
shifts
Mayeul d'Avezac, Nicola Marzari, and Francesco Mauri
Phys. Rev. B 76, 165122 (2007) doi:10.1103/PhysRevB.76.165122
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Ultrasoft pseudopotentials
Calculation of NMR Chemical Shifts for extended systems using Ultrasoft Pseudopotentials
Jonathan R. Yates, Chris J. Pickard, and Francesco Mauri.
Physical Review B 76, 024401 (2007) doi:10.1103/PhysRevB.76.024401
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Relativistic Effects
Relativistic nuclear magnetic resonance chemical shifts of heavy nuclei with pseudopotentials and the zer
oth-order regular approximation
Jonathan R. Yates, Chris J. Pickard, Mike C. Payne and Francesco Mauri
J. Chem. Phys. 118, 5746-5743 (2003),
doi:10.1063/1.1541625
Review Articles
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Chemical shift Computations on a Crystallographic Basis: Some Reflections and Comments
Robin K. Harris, Paul Hodgkinson, Chris J. Pickard, Vadim Zorin, and Jonathan R. Yates
Magn. Reson. Chem. 45 S174 (2007) doi:10.1002/mrc.2132