Fig. 7 | npj Computational Materials

Fig. 7

From: Deuteration removes quantum dipolar defects from KDP crystals

Fig. 7

(Upper) The quantum kinetic energy KL as a function of the number of beads. (Lower) KL − K∞ as a function of the number of beads. The diamonds are the numerical results from PIMD. The solid lines are the curves from optimal fitting. The two horizontal dotted guiding lines are at KL − K∞ = 0 and KL − K∞ = −1 meV, respectively.

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