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Updated: May 21, 2025

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
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Published on: May 27, 2020

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SHARC-VQE:简化的哈密尔顿方法,精细化和校正,使变量量子自溶解器用于分子模拟

Harshdeep Singh1, Sonjoy Majumder2, Sabyashachi Mishra3

  • 1Center of Computational and Data Sciences, Indian Institute of Technology, Kharagpur, India.

The Journal of chemical physics
|March 19, 2025
PubMed
概括

本研究引入了简化哈密尔顿近似,精细化和校正-VQE (SHARC-VQE) 方法,以加速量子化学模拟. 通过降低计算成本和减轻噪声,SHARC-VQE提高了变量量子自溶解器的效率和准确性.

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