Abstract
Monte Carlo methods for finding trial wavefunctions by minimizing the Monte Carlo standard deviation in the expectation value of the Hamiltonian are investigated for a periodically repeated system of 2 sodium nuclei and 22 electrons. Methods are described for using the biased selection technique to find reasonable numbers of statistically independent configurations in the regions where the wavefunction is sizable. A technique for making a direct Monte Carlo estimate of the derivative of the Born-Oppenheimer (BO) potential is described which numerically eliminates the part of the standard deviation in this estimate coming from the fluctuations within the ion cores. Finally, the resulting bound to the BO potential given by a rather simple trial wavefunction for the system at 1/14 the normal liquid density is presented.
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.
