Sentence examples for by the generalized gradient from inspiring English sources

The search direction is generated by the generalized gradient projection explicit formula, and a new working set is used, which can reduce the scale of the generalized gradient projection, so the proposed Algorithm A is efficient.

Exchange correlation interactions were described by the generalized gradient approximation (GGA) [38].

The exchange-correlation potential is described by the generalized gradient approximation [20].

The exchange correlation potential is described by the generalized gradient approximation with the Perdew-Burke-Ernzerhof parametrization.

Electron exchange and correlation effects were described by the generalized gradient approximation of Perdew et al. known as PW91 [14].

The electronic exchange-correlation energy has been described by the generalized gradient approximation GGA and the GGA+U (U is the Hubbard correction).

The electronic exchange and correlation effects are described by employing the generalized gradient approximation together with the projector augmented wave potentials.

The electronic properties of very thin gallium phosphide nanowires of different shapes have studied by ab initio method using the generalized gradient approximation [13].

Decomposition of cupric tartrate at different temperatures was simulated by density functional theory calculations under the generalized gradient approximation.

A semilocal functional for the exchange and the corresponding enhancement factor is constructed using the inhomogeneity parameter of the generalized gradient approximations by analyzing the small and large-density gradient expansion of the exchange hole.

Chemisorption of acetylene on different planes of the copper crystal was simulated by density functional theory calculations under the generalized gradient approximation.