Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 112, Issue 2, Pages 522-526Publisher
AMER INST PHYSICS
DOI: 10.1063/1.480543
Keywords
-
Ask authors/readers for more resources
The point charge model of nuclear quadrupoles is analyzed beyond the multipole approximation. The effect of the short-range expansion terms is shown to be responsible for the contamination of the calculated electric field gradients. Several regularities observed in earlier numerical calculations are elucidated and their analysis helps to devise proper computational strategies. The use of the point charge nuclear quadrupole model is strongly advocated in approximate relativistic calculations of electric field gradients at heavy nuclei. (C) 2000 American Institute of Physics. [S0021-9606(00)00402-5].
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available