Sentence examples for a very large basis from inspiring English sources

Notably, the results obtained for 3 by using B3LYP, B3P86 or M06 are very similar to those from RASPT2 with a very large basis set and large active space, both in solution and the gas-phase.

Both the solution and gas-phase results obtained for 3 by using B3LYP, B3P86 or M06 are very similar to those from restricted active-space SCF second-order perturbation theory (RASPT2) with a very large basis set and large active space.

The convergence with respect to basis set size was tested at the MP2 level, showing a change in barrier of less than 0.5 kcal/mol when very large basis sets were used.

Unfortunately, this approach is limited to small molecules because of the ~N7 scaling (with respect to the number of basis functions N) of the correlation methods and the need for very large basis sets.

This can be achieved by using very high levels of correlation, such as that obtained with coupled cluster or quadratic configuration interaction methods, and very large basis sets containing high angular momentum functions.

Smoothing splines and penalized splines have circumvented the problem of choosing the knot locations by constructing a very large spline basis and then penalizing the spline coefficients to reduce the effective number of df [ 40].

The dyslexia subgroup (N = 329) had more than 80% power to detect an effect size of 4.87%, which however is a very large effect on the basis of what we would expect for complex traits.

While this might be a small campaign, relative to others, in absolute dollars, on a per-capita or per-student basis it is a very large campaign.

These differences illustrate that local community capacity is a result of the unique manner in which these attributes coalesce in particular places and, therefore, should also be seen to a very large extent on a case-by-case basis (Agrawal 2001; Armitage 2005).

Microarray analysis is a powerful tool for examining differences among a very large number of genes rapidly and efficiently; it's the basis for new diagnostic tools, for example, for clinical evaluation of many forms of cancer.

Influencers are very powerful social media icons because they usually have a very large following of fans and update content on a constant basis.