Figure 2 | Scientific Reports

Figure 2

From: Efficient and accurate treatment of electron correlations with Correlation Matrix Renormalization theory

Figure 2

Large-basis binding energy curve of hydrogen clusters.

The total energy of hydrogen clusters as a function of bond length calculated from the CMR method agrees well with the result from the high-level quantum chemistry MCSCF calculations. The HF result is also shown for comparison. The calculations are done using large basis set. Insets: f(z) obtained by fitting the CMR total energy and local configuration weights with the exact full CI results.

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