Sentence examples for largest basis from inspiring English sources

[56] The CCSD-F12b and (T) contributions to the correlation energy are extrapolated separately, before summation with the HF reference energy (including CABS singles relaxation [57] as implemented in molpro) 58, 59 from the largest basis set calculation carried out.

Mr. Fishkin is hoping to use the Internet to conduct "deliberative polling" on a much larger basis.

Only the town supervisor, the seventh member on the town board, would continue to be elected on an at-large basis.

In 2000, delegates to the church's national convention put a new bishop in his seat in Washington but allowed him to serve on an at-large basis for four more years.

Generally speaking the larger basis sets give the better results.

They are able to generate very accurate energies with a sufficient large basis set.

However, large basis set remarkably increases the cpu-time of CCSD (T) calculations.

Zn-containing structures were also optimized with larger basis sets and higher levels of theory [31].

We note that DFT4 performs worse than DFT1 3, even though it uses a slightly larger basis set.

The large basis sets make the CI calculations of Hp-π interactions are even more expensive and CUP-time consuming.

In order to calculate the long range Hp-π interactions accurately large basis sets have to be used.