Accurate Electronic and Vibrational Structure Calculations of Metal-Containing Small Molecules of Importance to Precision Measurement and Laser Cooling

含金属小分子的精确电子和振动结构计算对于精密测量和激光冷却具有重要意义

基本信息

  • 批准号:
    2309253
  • 负责人:
  • 金额:
    $ 43.57万
  • 依托单位:
  • 依托单位国家:
    美国
  • 项目类别:
    Standard Grant
  • 财政年份:
    2023
  • 资助国家:
    美国
  • 起止时间:
    2023-09-01 至 2026-08-31
  • 项目状态:
    未结题

项目摘要

The proposed research consists of computational studies to describe the complex motions of electrons and nuclei in small metal-containing molecules that play important roles in searching for new physics beyond the Standard Model and in the emerging quantum information sciences. The proposed work on computational techniques is focused on the development of new algorithms and computer programs to elucidate the roles of subtle coupling between electronic states in laser cooling of molecules to ultracold temperature. The proposed molecular applications in close collaboration with experimental groups aim to provide insights into molecules relevant to cutting-edge research in quantum sciences and in searches for new physics. The method-development work proposed here is focused on relativistic coupled-cluster theory to enhance the treatment of nonadiabatic effects of importance to laser cooling of molecules containing heavy atoms and to improve the ability to calculate effective electric fields of importance to precision measurement of the electron’s electric dipole moment (eEDM). The proposed application work consists of a thorough investigation of the intensity-borrowing mechanisms in laser-coolable linear polyatomic molecules and predictions of properties for metal-containing small molecules including RaOH, ThF+, and YbOH, in close collaboration with experimental groups working on laser cooling and precision spectroscopy of these molecules.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.
拟议的研究包括计算研究,以描述含金属的小分子中电子和原子核的复杂运动,这些分子在寻找标准模型之外的新物理学和新兴的量子信息科学中发挥着重要作用。拟议的计算技术的工作集中在新的算法和计算机程序的开发,以阐明激光冷却分子到超冷温度的电子状态之间的微妙耦合的作用。与实验小组密切合作的拟议分子应用旨在提供与量子科学前沿研究和寻找新物理学相关的分子的见解。 这里提出的方法开发工作的重点是相对论耦合集群理论,以提高治疗的非绝热效应的重要性,激光冷却的分子中含有重原子,并提高计算有效电场的能力,重要的是精确测量的电子的电偶极矩(eEDM)。拟议的应用工作包括对激光可冷却线性多原子分子中强度借用机制的彻底调查和对含金属小分子(包括RaOH、ThF+和YbOH)的性质的预测,该奖项反映了NSF的法定使命,并通过评估被认为值得支持使用基金会的知识价值和更广泛的影响审查标准。

项目成果

期刊论文数量(0)
专著数量(0)
科研奖励数量(0)
会议论文数量(0)
专利数量(0)

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Lan Cheng其他文献

Role of JNK and NF-kappaB pathways in Porphyromonas gingivalis LPS-induced vascular cell adhesion molecule-1 expression in human aortic endothelial cells.
JNK 和 NF-κB 通路在牙龈卟啉单胞菌 LPS 诱导人主动脉内皮细胞血管细胞粘附分子 1 表达中的作用。
  • DOI:
  • 发表时间:
    2013
  • 期刊:
  • 影响因子:
    3.4
  • 作者:
    Bin Liu;Jia Wang;Lan Cheng;Jingping Liang
  • 通讯作者:
    Jingping Liang
An Adaptive Fusion Feature Extraction Algorithm Based on CNN
一种基于CNN的自适应融合特征提取算法
Semi-supervised segmentation of echocardiography videos via noise-resilient spatiotemporal semantic calibration and fusion
通过抗噪声时空语义校准和融合对超声心动图视频进行半监督分割
  • DOI:
    10.1016/j.neucom.2022.03.022
  • 发表时间:
    2022
  • 期刊:
  • 影响因子:
    6
  • 作者:
    Huisi Wu;Jiasheng Liu;Fangyan Xiao;Zhenkun Wen;Lan Cheng;Jing Qin
  • 通讯作者:
    Jing Qin
Enhanced thermal and mechanical properties of natural silkworm cocoon composites constructed by multi-silkworm larvae simultaneously.
  • DOI:
  • 发表时间:
    2019
  • 期刊:
  • 影响因子:
  • 作者:
    Lan Cheng;Zhi Li;Zulan Liu;Sihao Chen;Yu Bao;Lizhi Gao;Xiaoling Tong;Fangyin Dai
  • 通讯作者:
    Fangyin Dai
Combination of “Combinations of P-values” ∗
“P值组合”的组合*
  • DOI:
  • 发表时间:
    2010
  • 期刊:
  • 影响因子:
    0
  • 作者:
    Lan Cheng;X. Sheng
  • 通讯作者:
    X. Sheng

Lan Cheng的其他文献

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{{ truncateString('Lan Cheng', 18)}}的其他基金

Accurate Electronic and Vibrational Structure Calculations of Metal-Containing Small Molecules of Importance to Precision Measurement and Laser Cooling
含金属小分子的精确电子和振动结构计算对于精密测量和激光冷却具有重要意义
  • 批准号:
    2011794
  • 财政年份:
    2020
  • 资助金额:
    $ 43.57万
  • 项目类别:
    Standard Grant

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Accurate Electronic and Vibrational Structure Calculations of Metal-Containing Small Molecules of Importance to Precision Measurement and Laser Cooling
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