INVESTIGADORES
MALDONADO alejandro Fabian
congresos y reuniones científicas
Título:
A full relativistic formalism that gives new insight into magnetic molecular properties
Autor/es:
G. A. AUCAR; A. F. MALDONADO; C. A. GIMÉNEZ
Lugar:
Santiago de Compostela
Reunión:
Congreso; World Association of Theoretical and Computational Chemists (WATOC); 2011
Institución organizadora:
WATOC
Resumen:
We present a relativistic formalism based on the relativistic polarization propagator for the calculations of the NMR spectroscopy parameters.From the relativistic formalis one can take the limit when the speed of light tends to infinity and then the non-relativistic formalism is obtained.On the other hand, we can take one more step and try to include the QED effects on such parameters.
