Diffusion Monte Carlo method trial functions

Ceperley and Bernu [64] introduced a method that addresses these problems. It is a generalization of the standard variational method applied to the basis set exp(-f ) where is a basis of trial functions 1 s a < m. One performs a single-diffusion Monte Carlo calculation with a guiding function that allows the diffusion to access all desired states, generating a trajectory R(t), where t is imaginary time. With this trajectory one determines matrix elements between basis functions = ( a( i) I /3(fi + t)) and their time derivatives. Using... 

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