Sentence examples for generalised gradient approximation from inspiring English sources

generalised gradient approximation.

Vanderbilt ultrasoft pseudopotentials were employed, and the generalised gradient approximation (GGA-PBE) [21] was used as an exchange-correlation functional.

Most successful early approximations make use of the local density approximation and the semilocal generalised gradient approximation (GGA), for example, in the parametrisation of Perdew, Burke, and Ernzerhof (PBE) [7].

generalized gradient approximation and the Perdew, Burke, and Ernzerhof.

The generalized gradient approximation is used for the exchange correlation potential.

The generalized gradient approximation (GGA) is considered for the exchange-correlation functional.

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

We performed the calculations with generalized gradient approximation Perdew-Burke-Ernzerhof (non-NLCC) pseudopotentials [14].

More specifically, in the language of CDFT, this is analogous to the generalized gradient approximation (GGA).

Pseudopotentials were specified by the projector augmented wave [18, 19] and by generalized gradient approximation [20].

Spin-polarized calculations are also carried out with generalized gradient approximation (GGA) in some specific cases.