Fig. 3 | Scientific Reports

Fig. 3

From: Multireference diffusion Monte Carlo reaches 2D materials

Fig. 3

Wavefunction convergence of SHDMC iterative algorithm. Measurement of overlap between wavefunctions from each iteration of SHDMC obtained when starting from the random initial trial wavefunction (SHDMC:Random), the single determinant initial trial wavefunction (SHDMC:Single Determinant), and the truncated CI(5K) initial trial wavefunction (SHDMC:Truncated CI) with the final wavefunction obtained when starting from the Single Determinant initial trial wavefunction.

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