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New Paper Published in Nature Communications titled, “Exact exchange-correlation potentials from ground-state electron densities”
Published titled Exact potentials electron densities
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2019/10/10
The quest for accurate exchange-correlation functionals has long remained a grand challenge in density functional theory (DFT), as it describes the many-electron quantum mechanical behavior through a ...
Evaluation of Orbital- and Ground State Energies of Some Open- and Closed-Shell Atoms over Integer and Noninteger Slater Type Orbitals
integer and noninteger Slater type orbital ground state energy of open- and closed-shell atoms incomplete beta function.
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2007/12/19
摘要 Ab initio calculations of the orbital and the ground state energies of some open- and closed-shell atoms over Slater type orbitals with quantum numbers integer and Slater type orbitals with quantum...
Ground-state shapes and structures of colloidal domains
Charged colloids Self-assembly Continuum model Phase diagram
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2014/9/24
In charged colloidal suspensions, the competition between square-well attraction and long-range Yukawa repulsion leads to various stable domains and Wigner supercrystals. Using a continuum model and s...