Sentence examples for using the local density from inspiring English sources

Exchange and correlation potentials were included using the local density approximation of Ceperly and Alder [29].

The exchange correlation energy is calculated using the local density approximation.

We performed the first-principles calculations based on DFT using the local density approximation (LDA) and the projector augmented wave method implemented in VASP code.

The main idea in this study is the application of the non-ideal EOS for the corresponding bulk phase to an adsorbed phase, but the parameters of the EOS are modified using the local density and the mean field approximations.

The DFT calculation were carried out by using the local density approximation (LDA) and non-local gradient-corrected exchange-correlation functional (GGA) for the self-consistent total energy calculation.

The DFT calculation was carried out by using the local density approximation (LDA) and non-local gradient-corrected exchange-correlation functional (GGA) for the self-consistent total energy calculation.

Here, we used the local density approximation for the exchange-correlation potential [11].

Here, we use the local density approximation (LDA) to describe electron correlation and exchange interactions because it tends to approximately compensate for the lack of treating van der Waals interactions.

This result is in excellent agreement with the values obtained previously by Bedwani et al., who calculated the same system using the local-density approximation to the exchange-correlation functional.

A first-principles study, using the local spin density approximation, to design materials with an isolated partially filled intermediate band, based on a II VI semiconductor is presented.

The exchange-correlation energy functional used for the local density approximation was the one proposed by Goedecker et al. [22].