Abstract
The specific features of the application of distributed functions to the calculation of the energy of molecules in the Hartree-Fock approximation are considered, and models for the generation of such functions are proposed. The results can be used for modification of traditional atom-centered functions by shifting their centers in accordance with the models proposed.
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.