Abstract
The few-body method for treating water molecules is presented. H2O can be regarded as a three-body system. The total three-body wavefunction is expanded in terms of the harmonic oscillator product states in the Jacobi coordinates. The binding energies are calculated by using a pairwise model potential in the variational approach. The geometry and modes of internal motion are analyzed by the shape density function. The results are E = -76.07 a.u, RHO = 0.970 Å and ∠HOH = 105.38°. These results are compared with some known calculations and experimental values.
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.
