Abstract
A method based on the direct diagonalization of basis states in the framework of the multiconfiguration Hartree-Fock procedure has been proposed for constructing the multielectron basis. With the use of the technique of ladder operators of the orbital angular momentum and spin, this method has been generalized to the case of arbitrary electron configurations. It has been shown that such an approach can be easily implemented on a computer and has low requirements for computational resources in the case of d and f-electrons. The calculations of the multielectron basis states have been exemplified for several electron configurations and various sets of quantum numbers.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
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.