Abstract
A wavefunction similar to the Kinoshita function has been analyzed into natural orbitals. As it was for the hydrogen molecule, the first natural orbital for helium is very nearly the SCF function. The first three natural orbitals describe the atom quite well. These three terms give an energy of —2.8974 hartrees and an overlap with the exact wavefunction of 0.99979. Beyond these three terms, the natural expansion converges slowly with many terms required to even approximately fit the cusp in the correlation hole.
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.
