Quantum Monte Carlo Motivation

Choose a trial wave function \( \psi_T(\boldsymbol{R}) \). $$ P(\boldsymbol{R})= \frac{\left|\psi_T(\boldsymbol{R})\right|^2}{\int \left|\psi_T(\boldsymbol{R})\right|^2d\boldsymbol{R}}. $$ This is our new probability distribution function (PDF). The approximation to the expectation value of the Hamiltonian is now $$ E[H(\boldsymbol{\alpha})] = \frac{\int d\boldsymbol{R}\Psi^{\ast}_T(\boldsymbol{R},\boldsymbol{\alpha})H(\boldsymbol{R})\Psi_T(\boldsymbol{R},\boldsymbol{\alpha})} {\int d\boldsymbol{R}\Psi^{\ast}_T(\boldsymbol{R},\boldsymbol{\alpha})\Psi_T(\boldsymbol{R},\boldsymbol{\alpha})}. $$