The Set the Exchange Basis (BSE, https://www.basissetexchange.org/ ) is a strong quantitative basis set exchange community, which collects information based group reported in the literature, and provides a variety of software-based group information download the corresponding format when calculated using the quantization lack of suitable basis set time, this website can help you a lot.
- BSE was first used by MolSSI team EMSL (Laboratory Environmental Molecular Sciences)
published ( https://bse.pnl.gov/bse/portal ), has been moved to a separate site, and the maintenance Github: BSE-Github .- The BSE Github tools you can use to install and run Python, please detailed instructions on Github reference.
The maximum is selected layout element, where the corresponding elements may be selected, it will appear in the upper left-yl group-containing group number of the group information element. For example, 88 basis sets contains iodine. When a plurality of selecting elements, group-containing group will simultaneously display a plurality of elements. yl group information included in the displayed box-yl group.
Group group group box display the corresponding groups. When a group selected specified group, the group included in the group of triangular elements the lower left corner elements will appear in the yellow selection interface element. Facilitate understanding of the elements of the various basis sets may also filtered yl group (see FIG. two)
In the two boxes below, get some brief information group corresponding to the group and a base group of documents, respectively.
Reproduced in: https: //www.jianshu.com/p/46366ecb452a