杂化泛函方法与动力学平均场理论的组合及其在强关联材料中的应用

11504340
2015
A2009.强关联体系
黄理
青年科学基金项目
研究员
中国工程物理研究院
21万元
杂化泛函方法;电子结构;动力学平均场理论;强关联电子体系;第一原理计算
2016-01-01到2018-12-31
  • 中英文摘要
  • 结题摘要
  • 结题报告
  • 项目成果
  • 项目参与人
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序号 标题 类型 作者
1 Electronic structure of cerium: A comprehensive first-principles study 期刊论文 Li Huang;Haiyan Lu
2 iQIST v0.7: An open source continuous-time quantum Monte Carlo impurity solver toolkit 期刊论文 Huang Li
3 Improved Hubbard-I approximation impurity solver for quantum impurity models 期刊论文 Huanhuan Qiu;Jianing Zhuang;Li Huang;Jianzhou Zhao;Liang Du
4 Anomaly in the temperature-dependent electronic structure of the heavy-fermion compound CeB6: A theoretical investigation by means of a first-principles many-body approach 期刊论文 Lu Haiyan;Huang Li
5 Energetics of intrinsic point defects in aluminium via orbital-free density functional theory 期刊论文 Qiu Ruizhi;Lu Haiyan;Ao Bingyun;Huang Li;Tang Tao;Chen Piheng
6 Detecting phase transitions and crossovers in Hubbard models using the fidelity susceptibility 期刊论文 Huang Li;Wang Yilin;Wang Lei;Werner Philipp
7 Pressure-driven 4f localized-itinerant crossover in heavy-fermion compound CeIn3: A first-principles many-body perspective 期刊论文 Lu Haiyan;Huang Li
8 Pressure-driven insulator-metal transition in cubic phase UO2 期刊论文 Huang Li;Wang Yilin;Werner Philipp
9 Pressure-driven 5f localized-itinerant transition and valence fluctuation in cubic phase Cf 期刊论文 Li Huang;Haiyan Lu
10 Electronic correlations of element cerium under high pressure 期刊论文 Haiyan Lu;Li Huang
11 Kernel polynomial representation for imaginary-time Green's functions in continuous-time quantum Monte Carlo impurity solver 期刊论文 Huang Li
12 Recommender engine for continuous-time quantum Monte Carlo methods 期刊论文 Huang Li;Yang Yi-feng;Wang Lei
13 Spin-selective thermalization plateau in the mass-imbalanced Hubbard model 期刊论文 Du Liang;Huang Li;Fiete Gregory A.
14 Natural Orbital-Based Lanczos Method for An- derson Impurity Models 期刊论文 Sheng Bi;Li Huang;Ning-Hua Tong
15 Itinerant-localized crossover and orbital dependent correlations for 4f electrons in cerium-based ternary 122 compounds 期刊论文 Haiyan Lu;Li Huang
16 Localized to itinerant transition of f electrons in ordered Ce films on W(110) 期刊论文 Q. Y. Chen;W. Feng;D. H. Xie;X. C. Lai;X. G. Zhu;Li Huang
17 Accelerated Monte Carlo simulations with restricted Boltzmann machines 期刊论文 Huang Li;Wang Lei
18 Electronic correlations of element cerium under high pressure 期刊论文 Haiyan Lu;Li Huang
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