openfermion.chem.make_atom

Prepare a molecular data instance for a single element.

Main aliases

openfermion.chem.make_atom(
    atom_type, basis, filename=''
)

Args
`atom_type`	Float giving atomic symbol.
`basis`	The basis in which to perform the calculation.

Returns
`atom`	An instance of the MolecularData class.

Except as otherwise noted, the content of this page is licensed under the Creative Commons Attribution 4.0 License, and code samples are licensed under the Apache 2.0 License. For details, see the Google Developers Site Policies. Java is a registered trademark of Oracle and/or its affiliates.

Last updated 2024-04-26 UTC.

Args