Abstract

Wave functions for the homogeneous electron gas, a germanium pseudosolid, and a germanium pseudoatom are optimized using the method of variance minimization. Forms for the Jastrow factor which are convenient to optimize and may be evaluated rapidly are devised and tested and we stress the advantages of using expressions which are linear in the variable parameters. For each system studied we have performed variational and diffusion quantum Monte Carlo calculations to test the accuracy of the optimized wave functions. The results of our study are very promising for future applications of quantum Monte Carlo methods to real materials.

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.