The atomic form factor for vanadium: a treatment including correlation andLS-dependent relativistic effects |
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Authors: | R Glass |
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Institution: | 1. Department of Chemistry, University of Tasmania, Hobart, Tasmania, Australia
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Abstract: | The atomic form factor for the ground state of vanadium is evaluated using non-relativistic and “relativistic-corrected” configuration interaction wavefunctions in the |LSM L M s 〉 representation. Relaxing the constraints imposed by the Hartree-Fock model results in a very small reduction of the atomic factor at small momentum transfer with a negligible change at higher momentum transfer. Better agreement with the relativistic Hartree-Fock atomic form factor at small momentum transfer is obtained when theLS-dependent relativistic effects are included in the Breit-Pauli approximation. The sensitivity of the atomic form factor to small changes in the magnitude of the expansion coefficients of the configurational functions is also discussed. |
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