Sentence examples for core corrections from inspiring English sources

Troullier Martins [37] pseudopotentials were used, and the relativistic core corrections were also included.

The relaxation of all the structures have been performed using the SIESTA code [43, 44] and Troullier Martins pseudopotentials with non-linear core corrections.

The process of developing the final table led to new insights into the effects of both the core-valence partitioning and the non-linear core corrections on the stability, convergence, and transferability of norm-conserving pseudopotentials.

The standards address core corrections management issues such as staff training, inmate education, housing, investigations, and medical and mental health care in the aftermath of an assault.

The ANFIS model in the current study performs sufficiently in the estimation of core correction factor of high strength concrete, which particularly estimates closely following the actual values.

The ANFIS model results showed that it could be used an efficient tool for the estimation of the core correction factor of very high strength concrete.

In addition, a comparative study was carried out by a hybrid neuro-fuzzy (ANFIS) technique, the core correction factors were evaluated by statistical methods for comparing the performance of four different ANFIS approaches.

Norm-conserving pseudopotentials (with nonlinear core correction for K) and an energy cutoff at 60 Ry were used.

The interactions between valence electrons and the atom centers were approximated using generalized norm-conserving Hamann pseudopotentials [49, 50] for O, and H and a norm-conserving Troullier Martin pseudopotential [51], which contained 4s, 4p, and 3d projectors and a semi-core correction was used for Fe.

The first shows that one can now make extremely accurate predictions of the thermochemistry of small molecules if one carefully considers all of the details such as zero point energies, core-valence corrections, and relativistic corrections.

The second component is intensive care treatment, focused on core rewarming, correction of the acid-base imbalance, and coagulopathy as well as optimising the ventilation and the haemodynamic status.