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Research Article

A Full Quantum Eigensolver for Quantum Chemistry Simulations

Table 1

Energy values calculated by a perturbation method and the exact values in the most stable distance corresponding to the lowest ground energy.

Energy value (au)Exact valueZero-order valueFirst-order valueSecond-order value
Distance (Å)

H2 (0.7314)-1.1373-1.1171-1.1372-1.1372
LiH (1.5065)-7.8637-7.8634-7.8637-7.8637
H2O (1.0812)-75.0038-74.962275.001375.0032
NH3 (0.4033)-55.5247-55.4530-55.5193-55.5237