Abstract

We have applied symmetric smoothed particle hydrodynamics (SSPH) to real-space electronic structure calculations. The electronic structure of a simple atom such as hydrogen, helium and lithium is calculated. The results of SSPH are compared to that of the higher-order finite difference method (FD), and are in good agreement with that of FD. Our results indicate that SSPH can be applicable to the electronic structure calculations that require high accuracy.

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.