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tools:basissetexchange

Basis Set Exchange

This project is a library containing basis sets for use in quantum chemistry calculations. In addition, this library has functionality for manipulation of basis set data.

The goal of this project is to create a consistent, thoroughly curated database of basis sets, and to provide a standard nomenclature for quantum chemistry.

tools/basissetexchange.txt · Last modified: 2023/02/01 21:09 by oschuett