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1980 积分 2022-06-02 加入
Binding Energy Curves from Nonempirical Density Functionals II. van der Waals Bonds in Rare-Gas and Alkaline-Earth Diatomics
7天前
已完结
Comment on “Communication: Simple and accurate uniform electron gas correlation energy for the full range of densities” [J. Chem. Phys. 145, 021101 (2016)]
11天前
已完结
Nonlocality of the density functional for exchange and correlation: Physical origins and chemical consequences
11天前
已完结
Efficient recursive implementation of the modified Broyden method and the direct inversion in the iterative subspace method: Acceleration of self-consistent calculations
11天前
已完结
Generalized Gradient Approximation Made Simple
11天前
已完结
Relativistic separable dual-space Gaussian pseudopotentials from H to Rn
19天前
已完结
Separable dual-space Gaussian pseudopotentials
19天前
已完结
Even‐tempered slater‐type orbitals revisited: From hydrogen to krypton
19天前
已完结
Separable dual-space Gaussian pseudopotentials
20天前
已完结
Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phases
20天前
已完结
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