Abstract

The accuracy of the SAC-CI (symmetry-adapted-cluster configuration-interaction) method is examined for the singlet and triplet excited states of H 2O by comparison with the full-CI results for the [4s2p] basis set. The SAC-CI results for the excitation energy agree with the full-CI results to within 1.4%.

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.