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相关机构:燕山大学熊本大学北京科技大学北京机电研究所更多>>
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Accelerating Hartree-Fock Self-consistent Field Calculation on C86/DCU Heterogenous Computing Platform
《Chinese Journal of Chemical Physics》2025年第1期81-94,I0056,共15页Ji Qi Huimin Zhang Dezun Shan Minghui Yang 
supported by the National Natural Science Foundation of China(No.22373112 to Ji Qi,No.22373111 and 21921004 to Minghui Yang);GH-fund A(No.202107011790)。
In this study,we investigate the ef-ficacy of a hybrid parallel algo-rithm aiming at enhancing the speed of evaluation of two-electron repulsion integrals(ERI)and Fock matrix generation on the Hygon C86/DCU(deep compu...
关键词:Quantum chemistry Self-consistent field HARTREE-FOCK Electron repulsion inte-grals Heterogenous parallel computing C86/deep computing unit 
Self-consistent extraction of photoabsorption time delays in attosecond streak camera
《Science China(Physics,Mechanics & Astronomy)》2024年第12期8-16,共9页Yutong Gao Hongcheng Ni Andreas Becker Jian Wu 
supported by the National Natural Science Foundation of China (Grant Nos.92150105,12227807,and 12241407);the Science and Technology Commission of Shanghai Municipality (Grant Nos.21ZR1420100,and 23JC1402000);support by a grant from the U.S.Department of Energy,Division of Chemical Sciences,Atomic,Molecular and Optical Sciences Program (Grant No.DESC0001771)。
Photoionization can generally be decomposed into a photoabsorption process plus a half-scattering process.The streaking time delay observed in the attosecond streak camera,correspondingly,can be decomposed into a phot...
关键词:attosecond streak camera photoabsorption time delay PHOTOIONIZATION 
Charge self-consistent dynamical mean field theory calculations incombination with linear combination of numerical atomic orbitalsframework based density functional theory
《Chinese Physics B》2024年第10期62-69,共8页Xin Qu Peng Xu Zhiyong Liu Jintao Wang Fei Wang Wei Huang Zhongxin Li Weichang Xu Xinguo Ren 
We present a formalism of charge self-consistent dynamical mean field theory(DMFT)in combination with densityfunctional theory(DFT)within the linear combination of numerical atomic orbitals(LCNAO)framework.We implemen...
关键词:dynamical mean field theory density functional theory strongly correlated electrons 
Self-consistent and precise measurement of time-dependent radiative albedo of gold based on specially symmetrical triple-cavity Hohlraum
《Matter and Radiation at Extremes》2024年第3期57-64,共8页Zhiyu Zhang Yang Zhao Xiaoying Han Liling Li Bo Qing Lifei Hou Yulong Li YuXue Zhang Huan Zhang Xiangming Liu Bo Deng Gang Xiong Min Lv Tuo Zhu Chengwu Huang Tianming Song Yan Zhao Yingjie Li Lu Zhang Xufei Xie Jiyan Zhang Jiamin Yang 
This work was supported by the National Natural Science Foundation of China(Grant No.12004351).
A self-consistent and precise method to determine the time-dependent radiative albedo,i.e.,the ratio of the reemission flux to the incident flux,for an indirect-drive inertial confinement fusion Hohlraum wall material...
关键词:PRECISE cavity RADIATIVE 
Texture adjustment approach of magnesium alloys via variable strain path calculated by an integrated finite element-viscoplastic self-consistent model
《Journal of Materials Science & Technology》2024年第17期15-31,共17页Wenjie Wu Wenzhen Chen Xiaoyu Wang Wenke Wang Wencong Zhang Xinhua Liu Hyoung Seop Kim 
supported by the National Natural Science Foundation of China(Grant Nos.51975146,52205344);Shandong Province Natural Science Foundation(Grant No.ZR2020QE171);supported by the National Research Foundation of Korea(NRF)grant funded by the Korea government(MSIP)(Nos.NRF-2021R1A2C3006662,NRF-2022R1A5A1030054).
An integrated calculated approach based on weakly coupled finite element(FEM)-viscoplastic selfconsistent(VPSC)model was established to simulate the texture evolution during the variable strain path extrusion process ...
关键词:Integrated calculated approach Strain path control Texture adjustment Spiral die extrusion Viscoplastic self-consistent 
Convolutional network learning of self-consistent electron density via grid-projected atomic fingerprints
《npj Computational Materials》2024年第1期598-605,共8页Ryong-Gyu Lee Yong-Hoon Kim 
supported by the National Research Foundation of Korea(2023R1A2C2003816 and RS-2023-00253716);Computational resources were provided by KISTI Supercomputing Center(KSC-2023-CRE-0476).
The self-consistent field(SCF)generation of the three-dimensional(3D)electron density distribution(ρ)represents a fundamental aspect of density functional theory(DFT)and related first-principles calculations,and how ...
关键词:learning THEORY NEUTRAL 
Self-consistent Clustering Analysis-Based Moving Morphable Component(SMMC)Method for Multiscale Topology Optimization
《Acta Mechanica Solida Sinica》2023年第6期884-898,共15页Yangfan Li Jiachen Guo Hengyang Li Huihan Chen 
Current multiscale topology optimization restricts the solution space by enforcing the use of a few repetitive microstructures that are predetermined,and thus lack the ability for structural concerns like buckling str...
关键词:Topology optimization Moving morphable component method Multiscale concurrent design Reduced-order model 
(Pseudo) Scalar mesons in a self-consistent NJL model
《Chinese Physics C》2023年第12期40-44,共5页俞笑竹 王昕杨 
the Start-up Funding of Jiangsu University(4111190010);the Natural Science Foundation of China(12147103)。
In this study, we investigate the mass spectra of π and σ mesons at finite chemical potential using theself-consistent NJL model and the Fierz-transformed interaction Lagrangian. The model introduces an arbitrary pa...
关键词:NJL model chiral phase transition MESON 
Semiconducting SWCNT Photo Detector for High Speed Switching Through Single Halo Doping
《Computer Systems Science & Engineering》2023年第8期1617-1630,共14页A.Arulmary V.Rajamani T.Kavitha 
The method opted for accuracy,and no existing studies are based on this method.A design and characteristic survey of a new small band gap semiconducting Single Wall Carbon Nano Tube(SWCNT)Field Effect Transistor as a ...
关键词:Single halo CNTFET self-consistent poisson equation green’s function photodetector 
Self-consistent effective-one-body theory for spinning binaries based on post-Minkowskian approximation
《Science China(Physics,Mechanics & Astronomy)》2023年第7期17-28,共12页Jiliang Jing Weike Deng Sheng Long Jieci Wang 
supported by the National Natural Science Foundation of China(Grant Nos.12035005,and 12122504);the National Key Research and Development Program of China(Grant No.2020YFC2201400)。
This study extends the research on the self-consistent effective-one-body theory of a real spinless two-body system based on the post-Minkowskian approximation(Sci.China-Phys.Mech.Astron.65,100411(2022))to the case of...
关键词:real spin two-body system decoupled equation with separable variables forψ_(4)^(B) ffective-one-body theory 
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