Quantum Monte Carlo method of localized molecular orbitals

The fixed-node quantum Monte Carlo (FNQMC) method is one of the most accuratemethods, with which Schrdinger equation could be solved including 80%--100% of thecorrelation energies for the molecules with 2-10 electrons. However, the method hassome imperfections, i.e. (i) parametric numbers are too many to be optimized, (ii) the cuspcondition of the trial function cannot be satisfied.