Abstract

A density-matrix approach to constrained eigenvalue problems is presented. It is shown that all of the linearly independent eigenvectors of an Hermitian matrix can be generated with the idempotency equations ($\mathit{P}$ equations) developed in previous papers of this series. In particular, the method is applied to variational calculations in ${\mathrm{H}}_{2}^{+}$ and He.

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.