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Forty-five years after the point de d\'epart [1] of density functional theory, its applications in chemistry and the study of electronic structures keep steadily growing. However, the precise form of...
We propose a method to decompose the total energy of a supercell containing defects into contributions of individual atoms, using the energy density formalism within density functional theory. The s...
We present a new method to describe the kinetics of driven lattice gases with particle-particle interactions beyond hard-core exclusions. The method is based on the time-dependent density functional...
A density-functional approach on the hexagonal graphene lattice is developed using an exact numerical solution to the Hubbard model as the reference system. Both nearest-neighbour and up to third ne...
2003Vol.40No.6pp.721-726DOI: Mean Spherical Approximation-Based Partitioned Density Functional Theory ZHOU Shi-Qi Institute of Modern Statistical Mechanics and Departmen...
The Runge-Gross version of the Hohenberg-Kohn-Sham density-functional theory is generalized to multicomponent systems.
This paper is the outgrowth of lectures the author gave at the Physics Institute and the Chemistry Institute of the University of ao Paulo atao Carlos, Brazil, and at the VIIIth Summer...

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