Abstract
One-electron properties of LiH, including the dipole and quadrupole moments, are calculated with SCF–Xα–SW wavefunctions. The effect of the parameters of the SCF–Xα–SW method on the results has been studied. Use is made of numerical quadrature with diophantine points in the evaluation of integrals. The results are compared with those obtained with standard Hartree–Fock and configuration interaction calculations for LiH, and semiquantitative agreement is found.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
