Citing SIESTA
=============

.. _citing-siesta:

You can find here suggested list of papers to cite when using SIESTA. You should
always have a look at your ``.bib`` file output in SIESTA, which will contain
citations for the specific features you are using.

SIESTA
""""""

These papers are the ones you should cite when using SIESTA:

- *The SIESTA method for ab initio order-N materials simulation*.
  DOI: `10.1088/0953-8984/14/11/302 <https://doi.org/10.1088/0953-8984/14/11/302>`_
- *Siesta: Recent developments and applications*.
  DOI: `10.1063/5.0005077 <https://doi.org/10.1063/5.0005077>`_

TranSIESTA
""""""""""

Cite both of these when using TranSIESTA:

- *Density-functional method for nonequilibrium electron transport*.
  DOI: `10.1103/PhysRevB.65.165401 <https://doi.org/10.1103/PhysRevB.65.165401>`_
- *Improvements on non-equilibrium and transport Green function techniques:
  The next-generation transiesta*.
  DOI: `10.1016/j.cpc.2016.09.022 <https://doi.org/10.1016/j.cpc.2016.09.022>`_

-------


.. dropdown:: Reference papers for specific functionalities
  :color: info

  - LDA+U implementation. DOI:
    `10.1103/PhysRevB.57.1505 <https://doi.org/10.1103/PhysRevB.57.1505>`_
  - Slab-dipole correction. DOI:
    `10.1103/PhysRevB.59.12301 <https://doi.org/10.1103/PhysRevB.59.12301>`_
  - Charge/Hartree gate model. DOI:
    `10.1039/C5CP04613K <https://doi.org/10.1039/C5CP04613K>`_
  - Real-space self-energies for TranSiesta. DOI:
    `10.1103/PhysRevB.100.195417 <https://doi.org/10.1103/PhysRevB.100.195417>`_
  - Bulk-bias calculations. DOI:
    `10.1103/PhysRevB.106.155401 <https://doi.org/10.1103/PhysRevB.106.155401>`_
  - Spin-Orbit coupling (on-site). DOI:
    `10.1088/0953-8984/19/19/489001 <https://doi.org/10.1088/0953-8984/19/19/489001>`_
  - Spin-Orbit coupling (generalized). DOI:
    `10.1088/0953-8984/24/8/086005 <https://doi.org/10.1088/0953-8984/24/8/086005>`_
  - Lowdin orthonormalization. DOI:
    `10.1103/PhysRevB.71.180415 <https://doi.org/10.1103/PhysRevB.71.180415>`_

.. dropdown:: Solvers and related libraries
  :color: success

  - SIESTA-PEXSI. DOI:
    `10.1088/0953-8984/26/30/305503 <https://doi.org/10.1088/0953-8984/26/30/305503>`_
  - Selected Inversion Algorithm. DOI:
    `euclid.cms/12565628222 <https://projecteuclid.org/euclid.cms/12565628222>`_
  - ELSI Library Interface. DOI:
    `10.1016/j.cpc.2017.09.007 <https://doi.org/10.1016/j.cpc.2017.09.007>`_
  - ELPA parallel eigenvalue solutions. DOI:
    `10.1016/j.parco.2011.05.002 <https://doi.org/10.1016/j.parco.2011.05.002>`_
  - ELPA library. DOI:
    `10.1088/0953-8984/26/21/213201 <https://doi.org/10.1088/0953-8984/26/21/213201>`_
  - ELPA initial GPU optimization. DOI:
    `10.1007/978-3-319-96415-7 <https://doi.org/10.1007/978-3-319-96415-7>`_
  - ELPA eigenvalue-solver optimizations. DOI:
    `10.1016/j.cpc.2020.107808 <https://doi.org/10.1016/j.cpc.2020.107808>`_
  - NTPoly library. DOI:
    `10.1016/j.cpc.2017.12.010 <https://doi.org/10.1016/j.cpc.2017.12.010>`_

.. dropdown:: Other interfaces
  :color: warning

  - PSML pseudopotential format. DOI:
    `10.1016/j.cpc.2018.02.011 <https://doi.org/10.1016/j.cpc.2018.02.011>`_
  - LIBXC. DOI:
    `10.1016/j.softx.2017.11.002 <https://doi.org/10.1016/j.softx.2017.11.002>`_
  - Wannier Functions. DOI:
    `10.1103/PhysRevB.56.12847 <https://doi.org/10.1103/PhysRevB.56.12847>`_
  - Review on MLWFs. DOI:
    `10.1103/RevModPhys.84.1419 <https://doi.org/10.1103/RevModPhys.84.1419>`_
  - Wannier90. DOI:
    `10.1016/j.cpc.2014.05.003 <https://doi.org/10.1016/j.cpc.2014.05.003>`_
  - Wannier90 3.X. DOI:
    `10.1088/1361-648x/ab51ff <https://doi.org/10.1088/1361-648x/ab51ff>`_
  - Simple-DFT-D3 library. DOI:
    `10.21105/joss.07169 <https://doi.org/10.21105/joss.07169>`_
  - DFT-D3 BJ damping. DOI:
    `10.1002/jcc.21759 <https://doi.org/10.1002/jcc.21759>`_
  - DFT-D3 Zero damping. DOI:
    `10.1063/1.3382344 <https://doi.org/10.1063/1.3382344>`_