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Updated: May 26, 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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通过单粒子减小密度矩阵对化学系统的高效能量测量:用于优化采样的NOF-VQE方法

Juan Felipe Huan Lew-Yee1, Mario Piris1,2,3

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

Journal of chemical theory and computation
|February 21, 2025
PubMed
概括

本研究介绍了一种使用单粒子减小密度矩阵 (1RDM) 的方法,以优化量子计算的能量测量. 这种方法在变量量子自溶解器 (VQE) 框架内显著减少了用于化学系统计算的量子资源使用.

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High-Resolution Neutron Spectroscopy to Study Picosecond-Nanosecond Dynamics of Proteins and Hydration Water08:48

High-Resolution Neutron Spectroscopy to Study Picosecond-Nanosecond Dynamics of Proteins and Hydration Water

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The Quantum-Mechanical Model of an Atom

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Reaction Quotient

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High-Resolution Mass Spectrometry (HRMS)

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Atomic emission spectroscopy (AES) is an analytical technique used to determine the elemental composition of a sample by analyzing the light emitted from excited atoms. In AES, atoms in a sample are excited to higher energy levels by thermal energy from high-temperature sources, such as plasma, arcs, or sparks. When these excited atoms return to lower energy states, they emit light at specific wavelengths characteristic of each element. The resulting atomic emission spectrum, which consists of...
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