Calculation of surface stress in a linear combination of atomic orbitals representation
Calculation of surface stress in a linear combination of atomic orbitals representation is a scholarly work by Peter J. Feibelman, published in 1994 in ''Physical Review B''. The main subjects of the publication include materials science, political representation, Slab, graphene, decomposition, surface, Surface stress, atomic physics, stress, physics, molecular physics, derivative, deformation, atomic orbital, metal matrix composite, and linear combination of atomic orbitals. A method is presented for separating ``bulk'' and ``surface'' contributions to the strain derivative of the total energy of a two-dimensionally periodic, several-layer slab.