资 源 简 介
Kruununhaka (pronounced "CREW-noun-ha-cuh") is a free software project, focusing on the generation of completeness-optimized Gaussian basis sets.
Kruununhaka isn"t maintained anymore, and has problems generating large basis sets. See [ERKALE](http://erkale.googlecode.com) for up-to-date, faster and reliable completeness optimization tools
Completeness profiles were introduced [1] by D. P. Chong to measure the completeness of one-electron basis sets. Kruununhaka is a program that was written to be able to generate basis sets that optimize the completeness profile in the wanted exponent range [2].
If you use Kruununhaka in your publications, remember to cite
Kruununhaka basis set tool kit, written by P. Manninen and S. Lehtola, Release 2.0 (2011).
http://www.chem.helsinki.fi/~manninen/kruununhaka/
[1] Chong, D. P. Can. J. Chem. 1995, 73, 79.
[2
