Sentence examples similar to a core potential from inspiring English sources

To decrease the computational effort, a basis set with an effective core potential (ECP) for thorium was chosen.

We also show that it is possible to model the properties of the electron in helium with a hard core potential for the interaction of the electron with helium as well as the helium-helium interaction.

Computational details: The calculations were performed by using Jaguar, version 7.6, 25 with the B3LYP hybrid functional 26 and the LACVP** basis set, which uses an effective core potential 27 for palladium and 6-31G** for all other atoms.

This setup has functioned as a starting point to go on with an energy scenario workshop, which then was post-evaluated using a GIS modelling of the core potential areas for renewable energy production that were designated during the workshop.

But at its core, Potential Drawings is an innately human series; the works' soft lines and dots evoke bodily curves and make the otherwise austere drawings intimate.

Due to the semi-soft core potential function, the developed EOS is analytic and has a closed form, which makes it appropriate for the engineering level.

The calculation revealed that the depth of M ionic core potential affects apparently the band structure.

The B3LYP functional was used with the LANL2DZ basis set with effective core potential on iron and the 3 21G basis set on all other elements to calculate ΔH.

DFT calculations with Becke-3 Lee Yang Parr (B3LYP)/Los Alamos National Laboratory 2 Double Z (LanL2DZ) specified for Ru atom and B3LYP/6-31G d B3LYP/6-31G dn for all other atoms were used using effective core potential method.

I began to make real and lasting progress by concentrating on my core potential.

The core potential for evolving synapses in sponges may extend to other types of junctions.