作者: Teemu O. Pennanen , Juha Vaara
DOI: 10.1103/PHYSREVLETT.100.133002
关键词: Physics 、 Ferromagnetic resonance 、 Spin states 、 Solid-state nuclear magnetic resonance 、 Spin engineering 、 Spin polarization 、 Spin (physics) 、 Chemical shift 、 Nuclear magnetic resonance 、 Condensed matter physics 、 Spin echo
摘要: We present a general and systematic electronic structure theory of the nuclear magnetic resonance shielding tensor associated chemical shift for paramagnetic atoms, molecules, nonmetallic solids. The approach is first time rigorous an arbitrary spin state as well spatial symmetry formulated without reference to susceptibility. leading-order magnetic-field dependence derived. demonstrated by principles calculations organometallic molecules.