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ORBITAL-FREE DENSITY FUNCTIONAL THEORY OF ATOMS, MOLECULES, AND SOLIDS
Density functional (DF) theory has proved to be a powerful way to determine the ground state energy of atoms, molecules, and extended systems. An important part of the theory requires one to determine the kinetic energy ...
Biomolecular self-assembly is the complicated processes characterized by broad and hierarchical structure of energy, length, and time scales. Various experimental tools have, for decades, been used to understand the ...