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非线性光学原子响应理论及最新进展
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作者 程曦月 秘汉相 +1 位作者 洪茂椿 邓水全 《人工晶体学报》 CAS 北大核心 2023年第7期1270-1285,共16页
二阶非线性光学晶体材料通过倍频效应转换激光频率,并且调制激光的振幅和位相,在现代制造、激光医疗、光通信,以及基础科学研究领域都有重要用途。本文简要介绍了近年来在部分响应泛函方法的基础上发展起来的非线性光学原子响应理论。... 二阶非线性光学晶体材料通过倍频效应转换激光频率,并且调制激光的振幅和位相,在现代制造、激光医疗、光通信,以及基础科学研究领域都有重要用途。本文简要介绍了近年来在部分响应泛函方法的基础上发展起来的非线性光学原子响应理论。该理论使人们能够在第一性原理计算的基础上定量评估单个组成原子及轨道对非线性光学晶体材料倍频效应的贡献。在此基础上,本团队还发展了一套普适的以物理性能为标准的基团划分方案,为确定倍频效应的功能基元提供了概念基础。本工作对该理论方法的最新进展及其带来的一些新观点,如导带的作用、原子负贡献、静态偶极矩的作用、非共价基团的压倒性贡献、线性规律等进行解释和阐述,并给出了在新材料设计中的应用实例。 展开更多
关键词 原子响应理论 非线性光学晶体 第一性原理 非共价相互作用 基团划分 部分响应泛函
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Probing quantum many-body correlations by universal ramping dynamics
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作者 Libo Liang Wei Zheng +11 位作者 Ruixiao Yao Qinpei Zheng Zhiyuan Yao Tian-Gang Zhou Qi Huang Zhongchi Zhang Jilai Ye Xiaoji Zhou Xuzong Chen Wenlan Chen Hui Zhai Jiazhong Hu 《Science Bulletin》 SCIE EI CAS CSCD 2022年第24期2550-2556,M0004,共8页
Ramping a physical parameter is one of the most common experimental protocols in studying a quantum system, and ramping dynamics has been widely used in preparing a quantum state and probing physical properties. Here,... Ramping a physical parameter is one of the most common experimental protocols in studying a quantum system, and ramping dynamics has been widely used in preparing a quantum state and probing physical properties. Here, we present a novel method of probing quantum many-body correlation by ramping dynamics. We ramp a Hamiltonian parameter to the same target value from different initial values and with different velocities, and we show that the first-order correction on the finite ramping velocity is universal and path-independent, revealing a novel quantum many-body correlation function of the equilibrium phases at the target values. We term this method as the non-adiabatic linear response since this is the leading order correction beyond the adiabatic limit. We demonstrate this method experimentally by studying the Bose-Hubbard model with ultracold atoms in three-dimensional optical lattices.Unlike the conventional linear response that reveals whether the quasi-particle dispersion of a quantum phase is gapped or gapless, this probe is more sensitive to whether the quasi-particle lifetime is long enough such that the quantum phase possesses a well-defined quasi-particle description. In the BoseHubbard model, this non-adiabatic linear response is significant in the quantum critical regime where well-defined quasi-particles are absent. And in contrast, this response is vanishingly small in both superfluid and Mott insulators which possess well-defined quasi-particles. Because our proposal uses the most common experimental protocol, we envision that our method can find broad applications in probing various quantum systems. 展开更多
关键词 Ramping dynamics Many-body correlations Optical lattices Degenerate quantum gas
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