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Interface Phenomena and Interaction Energy at the Surface of Electroconductive Solids
For the local gradient approach in thermomechanics, the regularities of nearsurface nonhomogeneity in nonferromagnetic electroconductive solids, including the size effect of the ultimate stress limit are studied. It is noted that surface values of interaction energy and thermodynamic electric pot ...
New Medium-size Basis Sets for Rare-gas Atoms
New medium-size basis sets are constructed for rare-gas (Rg) atoms and tested on their dimers Rg2. The main part of the these bases contains the standard aug-cc-pVTZ basis set modified and extended by the g- and h-polarization functions. Their optimization allows accurate calculations of the disp ...