Quantum Monte Carlo Motivation

The trial wave function can be expanded in the eigenstates of the hamiltonian since they form a complete set, viz., $$ \Psi_T(\boldsymbol{R})=\sum_i a_i\Psi_i(\boldsymbol{R}), $$ and assuming the set of eigenfunctions to be normalized one obtains $$ \frac{\sum_{nm}a^*_ma_n \int d\boldsymbol{R}\Psi^{\ast}_m(\boldsymbol{R})H(\boldsymbol{R})\Psi_n(\boldsymbol{R})} {\sum_{nm}a^*_ma_n \int d\boldsymbol{R}\Psi^{\ast}_m(\boldsymbol{R})\Psi_n(\boldsymbol{R})} =\frac{\sum_{n}a^2_n E_n} {\sum_{n}a^2_n} \ge E_0, $$ where we used that \( H(\boldsymbol{R})\Psi_n(\boldsymbol{R})=E_n\Psi_n(\boldsymbol{R}) \). In general, the integrals involved in the calculation of various expectation values are multi-dimensional ones. The variational principle yields the lowest state of a given symmetry.