Abstract
Constrained configuration interaction (CI) wavefunctions (CVM-CI) were determined using the modified perturbation –iteration (MPI) method, two approximate versions of the MPI method, and the secant-parameterization method. The results of constrained CI calculations on CO using a 25 configuration wavefunction showed that the MPI method converged rapidly, and that the secant-parameterization method was computationally more economical.
Sign-in/Register to access full text options 
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.
