Variance-minimization scheme for optimizing Jastrow factors

摘要: We describe a scheme for optimizing many-electron trial wave functions by minimizing the unreweighted variance of energy using stochastic integration and correlated-sampling techniques. The is restricted to parameters that are linear in exponent Jastrow correlation factor, which most important we use. highly efficient allows us investigate parameter space more closely than has been possible before. search multiple minima compare obtained reweighted minimization.