Abstract
The omega function for the lithium hydride molecule ground state is analyzed at the equilibrium and at an dissociative distance. For this purpose, the first order density matrix, the natural orbitals, the natural configurational equivalents, and the correlation factors are deduced and discussed. It is found that the omega function taken into account appreciable correlation effects especially in the bond region.
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.
