Sentence examples for large basis from inspiring English sources

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.

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.

Widespread access to optimized chemical structures using high level theories and large basis sets would benefit everyone from teaching right through to academic research and industry.

Specifically, we have parameterized EEM for frequently used charge calculation schemes, high enough QM theory levels and a large basis set.

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.

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

Generally speaking the larger basis sets give the better results.

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