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We present an approach to the DFT+U method (density functional theory + Hubbard model) within which the computational effort for calculation of ground-state energies and forces scales linearly with system size. We employ a formulation of the Hubbard model ...
We present a comprehensive list of the ground-state energies and the spin gaps of finite Kagome clusters with up to 42 spins obtained using large-scale exact diagonalization techniques. This represents the current limit of this exact approach. For a fixed ...
The potential energy surface of LiBH4 is investigated by a ground-state search method based on simulated annealing and first-principles density functional theory calculations. A new stable orthogonal structure with Pnma symmetry is found, which is 9.66kJ/m ...
We compute the ground-state energy of atoms and quantum dots with a large number N of electrons. Both systems are described by a nonrelativistic Hamiltonian of electrons in a d-dimensional space. The electrons interact via the Coulomb potential. In the cas ...
Thanks to decades of research, gait analysis has become an efficient tool. However, mainly due to the price of the motion capture systems, standard gait laboratories have the capability to measure only a few consecutive steps of ground walking. Recently, w ...
Exciton-polariton condensation can be regarded as a self-organization phenomenon, where phase ordering is established among particles in the system. In such condensed systems, further ordering can occur in the particle density distribution, under particula ...
Let r : S x S -> R+ be the jump rates of an irreducible random walk on a finite set S, reversible with respect to some probability measure m. For alpha > 1, let g : N -> R+ be given by g(0) = 0, g(1) = 1, g(k) = (k/k - 1)(alpha), k >= 2. Consider a zero ra ...
The statistics of the condensed polaritons is described in terms of the Wigner function. In the framework of the truncated Wigner method, the Wigner function obeys a Fokker-Planck equation, which is solved analytically. The second-order correlations in the ...
Motivated by some inconsistencies in the way quantum fluctuations are included beyond the classical treatment of hard-core bosons on a lattice in the recent literature, we revisit the large-S semiclassical approach to hard-core bosons on the square lattice ...