Abstract

Self-consistent field wave functions are computed for the isoelectronic systems BH4-, CH4 and NH4+ for various values of the bond length using the one-centre method. These wave functions are used to determine theoretical values for the energy, bond length, force constant, electronic charge density, multipole moments, diamagnetic susceptibility and polarizability.

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.