.. _uafd:

Uncertainty-aware electronic density-functional distributions
=============================================================


.. container:: article

    Teitur Hansen, Jens Jørgen Mortensen, Thomas Bligaard,
    and Karsten Wedel Jacobsen

    `Uncertainty-aware electronic density-functional distributions.`__

    Phys. Rev. B 112, 075412

    __ https://doi.org/10.1103/yhly-wxhv


Atoms and molecules
===================

* Download ASE database: :download:`uafd.db`
* `Browse data <https://cmrdb.fysik.dtu.dk/uafd>`_


Solid-state data by Tran, Stelzl and Blaha
==========================================

.. container:: article

    Fabien Tran, Julia Stelzl and Peter Blaha

    `Rungs 1 to 4 of DFT Jacob’s ladder: Extensive test on the lattice
    constant, bulk modulus, and cohesive energy of solids.`__

    J. Chem. Phys. 144, 204120 (2016)

    __ https://doi.org/10.1063/1.4948636

* :download:`lattice_constants.csv`
* :download:`cohesive_energies.csv`
* :download:`bulk_moduli.csv`