The solution to the Kohn-Sham equation in the density functional theory of the quantum many-body problem is studied in the context of the electronic structure of smoothly deformed macroscopic crystals. An analog of the classical Cauchy-Born rule for crystal lattices is establish…
"The solution to the Kohn-Sham equation in the density functional theory of the quantum many-body problem is studied in the context of the electronic structure of smoothly deformed macroscopic crystals. An analog of the classical Cauchy-Born rule for crystal lattices is establis…
"Physical phenomena can be modeled at varying degrees of complexity and at different scales. Multiscale modeling provides a framework, based on fundamental principles, for constructing mathematical and computational models of such phenomena by examining the connection between mo…
Physical phenomena can be modeled at varying degrees of complexity and at different scales. Multiscale modeling provides a framework, based on fundamental principles, for constructing mathematical and computational models of such phenomena, by examining the connection between mo…