Abstract

An approximate local-density functional, quite similar to the well-known Colle-Salvetti functional and complying with a basic requirement of the exchange-correlation hole, is derived and represented as a simple polynomial. This expression gives an essentially correct behavior for the Coulomb hole. Test calculations on some two-electron atoms lead to energy values closer than 0.05% to the experimental ones. The expression can be further improved by taking into account the effects of the density gradient.

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.