Abstract

The one-electron Douglas Kroll (DK) approach and perturbation theory, accounting for the mass-velocity and Darwin (MVD) terms, are used to compute the scalar relativistic contribution to the atomization energies of CF, CF4, and SiF4. The difference between these two approaches is studied as a function of basis set and level of correlation treatment.

Full Text
Paper version not known

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 call

Disclaimer: 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.