Abstract
The Dyson equation for the one-body Green's function is solved, in a finite basis representation, using an approximated optical potential derived from its functional derivative expression. Some undesirable features of this approximation are discussed and different techniques used to carry out the computations are examined. Results are reported for the ground-state energy, dipole moment, ionization potentials and some of the electron affinities of LiH and H2O. The calculated ionization spectrum of the latter molecule displays some interesting characteristics which seem to agree with the available experimental data.
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.
