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Updated: Sep 8, 2025

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

Published on: April 8, 2020

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修剪-ADAPT-VQE:通过删除无关操作符来压缩分子方法

Nonia Vaquero-Sabater1,2, Abel Carreras1, David Casanova1,3

  • 1Donostia International Physics Center (DIPC), 20018 Donostia, Euskadi, Spain.

Journal of chemical theory and computation
|September 6, 2025
PubMed
概括

我们开发了一种免费的方法,通过删除多余的运算符来完善自适应衍生组合问题量身定制的变量量子自解决方法 (ADAPT-VQE). 这提高了电子结构计算的量子计算效率.

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