Relativistic calculations of magnetic resonance parameters: Background and some recent developments

Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences

Volumn 372, Issue 2011, 2014, Pages

  Autschbach, Jochen ^a  

^a UNIVERSITY AT BUFFALO   (United States)

Author keywords

Density functional theory; EPR; NMR; Quantum theory; Relativistic effects

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELECTRIC FIELDS; NUCLEAR MAGNETIC RESONANCE; PARAMAGNETIC RESONANCE; QUANTUM CHEMISTRY; QUANTUM THEORY; RESONANCE;

CORRELATED WAVE FUNCTIONS; ELECTRIC FIELD GRADIENTS; NUCLEAR MAGNETIC RESONANCE SHIELDING; NUCLEAR QUADRUPOLE COUPLINGS; RELATIVISTIC CALCULATIONS; RELATIVISTIC EFFECTS; RELATIVISTIC QUANTUM CHEMISTRIES; SPECTROSCOPIC TECHNIQUE;

CALCULATIONS;

EID: 84894286692     PISSN: 1364503X     EISSN: None     Source Type: Journal    
DOI: 10.1098/rsta.2012.0489     Document Type: Review

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