Relativistic effects on the nuclear magnetic shielding tensor

 

Autores
<div class="autor_fcen" id="5660">Melo, J.I.</div>; <div class="autor_fcen" id="7609">Ruiz de Azua, M.C.</div>; <div class="autor_fcen" id="3723">Giribet, C.G.</div>; Aucar, G.A.; Romero, R.H.
Tipo de recurso
artículo
Estado
Versión publicada
Año de publicación
2003
País
Argentina
Institución
Repositorio
Descripción
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 expression as a power series in c-1. All formal expressions are retained, without neglecting any terms in the intermediate steps of the derivation.
Idioma
inglés
OAI Identifier
3573542d-782b-44a2-b2fd-eb61bd043713/snrd:HASH018b1980c9f92182b5829008
Enlace del recurso
http://digital.bl.fcen.uba.ar/Download/paper/paper_00219606_v118_n2_p471_Melo.pdf
Nivel de acceso
Acceso abierto
Materia
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