A point-charge model for the nuclear quadrupole moment: Coupled-cluster, Dirac–Fock, Douglas–Kroll, and nonrelativistic Hartree–Fock calculations for the Cu and F electric field gradients in CuF-Reference-Cited by-同舟云学术

A point-charge model for the nuclear quadrupole moment: Coupled-cluster, Dirac–Fock, Douglas–Kroll, and nonrelativistic Hartree–Fock calculations for the Cu and F electric field gradients in CuF

Published:1998-04-22 Issue:16 Volume:108 Page:6722-6738
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Pernpointner Markus,Seth Michael,Schwerdtfeger Peter

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.476088

Reference51 articles.

1. Electric field gradients and Sternheimer-type properties of the BrCl molecule: correlated, relativistic, ab initio calculations and modelling of nuclear quadrupole coupling constants in complexes B ⋯ BrCl

2. Chapter 8. Nuclear quadrupole resonance and relaxation

3. The Nuclear Quadrupole Moments of the 20 First Elements: High-Precision Calculations on Atoms and Small Molecules

4. Table of nuclear moments

5. The nuclear quadrupole moment of Li: Refined calculations of electric field gradients in LiH, LiF, and LiCl

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