Abstract
Orthogonalization with the prerequisite of keeping several vectors fixed is examined. Explicit formulae are derived both for orthogonal and biorthogonal vector sets. Calculation of the inverse or square root of the entire overlap matrix is eliminated, allowing computational time reduction. In this special situation, it is found sufficient to evaluate the functions of matrices of the dimension matching the number of fixed vectors. The (bi)orthogonal sets find direct application in extending multiconfigurational perturbation theory to deal with multiple reference vectors.
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.
