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...
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...
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...
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...
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 ...
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 ...
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...
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...
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 ...
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...