Relativistic effects on the nuclear magnetic shielding tensor

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A two-component theory for shielding calculations starting from a four-component Rayleigh-Schrodinger perturbation theory (RSPT) formalism is presented. Thus, a set of operators entering the RSPT expressions in terms of the Schrodinger molecular spectrum are derived by expanding such four-component...

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Detalles Bibliográficos
Autores principales:	Melo, J.I., Ruiz de Azua, M.C., Giribet, C.G., Aucar, G.A., Romero, R.H.
Formato:	JOUR
Materias:	Approximation theory Differential equations Eigenvalues and eigenfunctions Ground state Hamiltonians Magnetic shielding Matrix algebra State space methods Tensors Coulomb and Breit two-body interaction operators Fermi contact Magnetic molecular properties Magnetic potential No-pair approximation Nuclear magnetic shielding tensor Schrodinger molecular energy Spin-other orbit interactions Perturbation techniques
Acceso en línea:	http://hdl.handle.net/20.500.12110/paper_00219606_v118_n2_p471_Melo
Aporte de:	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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