This is a Quantum Chemistry package written in pure python. The underlying approach is fully grid-based and it utilizes low-rank tensor structure of orbitals, which significantly reduces complexity.

In order to run the code, please, download and install PyQuante, which generates initial guess in the STO-3G basis set.

It is highly recommended that you use Anaconda Python distribution which has built in MKL. Moreover, Anaconda was used to develop tensorchem.