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Updated: Jun 20, 2025

An Externally-Heated Diamond Anvil Cell for Synthesis and Single-Crystal Elasticity Determination of Ice-VII at High Pressure-Temperature Conditions
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An Externally-Heated Diamond Anvil Cell for Synthesis and Single-Crystal Elasticity Determination of Ice-VII at High Pressure-Temperature Conditions

Published on: June 18, 2020

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使用可极化嵌入的冰 VIII 和 IX 的电场梯度计算:古典计算机和量子模拟器的比较研究

Dániel Nagy1, Peter Reinholdt2, Phillip W K Jensen1

  • 1Department of Chemistry, University of Copenhagen, DK-2100 Copenhagen Ø, Denmark.

The journal of physical chemistry. A
|July 18, 2024
PubMed
概括

我们评估了一种量子计算模型,可极化嵌入变量量子自身溶解器自一致场 (PE-VQE-SCF),用于计算电场梯度. 量子模型与冰 VIII 和冰 IX 的经典计算和实验数据有很好的一致性.

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