# Otter citation policy and registry

This file is generated from `src/otter/literature.bib`. It is the
developer-facing citation contract for source code, documentation,
examples, benchmark manifests, and generated HTML.

## For users

If you use Otter in a scientific publication, please cite Chongbing Qu
and Dominik Kraus, *Otter*, version 0.2.4, computer software (2026),
https://github.com/otter-hed/otter.

Model references record scientific provenance; they are not additional
software-citation requirements.
Configuration objects expose:

```python
config.citation(style="plain")   # readable references
config.citation(style="bibtex")  # copyable BibTeX
config.citation(style="cite")    # \cite{...}
```

The canonical HTML bibliography is generated by Sphinx from the same
BibTeX file: `docs/source/bibliography.rst`.

## For contributors

1. Add or update the primary paper in `src/otter/literature.bib`.
2. Use a stable citation key and DOI; do not invent uncited shorthand.
3. Add a `:cite:p:`/`:cite:t:` reference beside equations or model
   descriptions in RST, and a `References` section in Python docstrings.
4. For selectable models, expose the selected keys through a
   `citation_keys` property and test all three citation styles.
5. Mark Otter-specific numerical choices separately from the cited
   physical model; do not attribute implementation details to papers.
6. Run `python tools/update_citations.py`, the citation tests, and the
   documentation build before submitting a model or benchmark.

## Selectable-model mappings

The runtime keeps these mappings in `citation_keys_for_chi0_model`,
`citation_keys_for_lfc_model`, and `citation_keys_for_xc_model`; use
those helpers instead of duplicating
paper lists in examples or output manifests.

### Non-interacting electron response

- `lindhard_fd`: `Mermin1970`

### Ionic local-field corrections

- `chabrier1990`: `UtsumiIchimaru1982`, `IchimaruEtAl1987`, `Chabrier1990`
- `chabrier_hubbard`: `Hubbard1958`, `Chabrier1990`
- `geldartvosko`: `GeldartVosko1966`, `GregoriEtAl2007`
- `gregori2007`: `UtsumiIchimaru1982`, `GeldartVosko1966`, `GregoriEtAl2007`
- `hubbard`: `Hubbard1958`
- `none`: `PinesBohm1952`
- `utsumiichimaru`: `UtsumiIchimaru1982`
- `vashistasingwi`: `VashishtaSingwi1972`, `Chabrier1990`

### Exchange-correlation aliases

- `dirac`: `Dirac1930`
- `lda_pw`: `LehtolaEtAl2018`, `Dirac1930`, `Bloch1929`, `PerdewWang1992`
- `lda_pz`: `LehtolaEtAl2018`, `Dirac1930`, `Bloch1929`, `PerdewZunger1981`
- `lda_vwn`: `LehtolaEtAl2018`, `Dirac1930`, `Bloch1929`, `VoskoWilkNusair1980`
- `none`: (none)
- `pbe`: `LehtolaEtAl2018`, `PerdewBurkeErnzerhof1996`, `PerdewBurkeErnzerhof1997`
- `libxc:<functional>[+<functional>...]`: `LehtolaEtAl2018` plus
  the primary references returned by the installed Libxc runtime.
  The exact version, IDs, references, and DOIs are retained in
  `xc_provenance`; unknown functionals must not be hand-catalogued.

## Complete bibliography

### `BethkenhagenEtAl2020`

Mandy Bethkenhagen, Bastian B. L. Witte, Maximilian Schörner, Gerd Röpke, Tilo Döppner, Dominik Kraus, Siegfried H. Glenzer, Philip A. Sterne, Ronald Redmer. Carbon ionization at gigabar pressures: An ab initio perspective on astrophysical high-density plasmas. Physical Review Research 2(2), 023260 (2020). DOI: https://doi.org/10.1103/PhysRevResearch.2.023260.

### `Bloch1929`

Felix Bloch. Bemerkung zur Elektronentheorie des Ferromagnetismus und der elektrischen Leitfähigkeit. Zeitschrift für Physik 57(7–8), 545–555 (1929). DOI: https://doi.org/10.1007/BF01340281.

### `CarnahanStarling1969`

Norman F. Carnahan, Kenneth E. Starling. Equation of State for Nonattracting Rigid Spheres. The Journal of Chemical Physics 51(2), 635–636 (1969). DOI: https://doi.org/10.1063/1.1672048.

### `Chabrier1990`

G. Chabrier. An equation of state for fully ionized hydrogen. Journal de Physique 51(15), 1607–1632 (1990). DOI: https://doi.org/10.1051/jphys:0199000510150160700.

### `ChabrierPotekhin1998`

G. Chabrier, A. Y. Potekhin. Equation of state of fully ionized electron-ion plasmas. Physical Review E 58(4), 4941–4949 (1998). DOI: https://doi.org/10.1103/PhysRevE.58.4941.

### `ClerouinEtAl2015`

Jean Clérouin, Grégory Robert, Philippe Arnault, Christopher Ticknor, Joel D. Kress, Lee A. Collins. Evidence for out-of-equilibrium states in warm dense matter probed by x-ray Thomson scattering. Physical Review E 91(1), 011101 (2015). DOI: https://doi.org/10.1103/PhysRevE.91.011101.

### `DaughtonMurilloThode2000`

William Daughton, Michael S. Murillo, Lester Thode. Empirical bridge function for strongly coupled Yukawa systems. Physical Review E 61(2), 2129–2132 (2000). DOI: https://doi.org/10.1103/PhysRevE.61.2129.

### `Dirac1930`

P. A. M. Dirac. Note on Exchange Phenomena in the Thomas Atom. Mathematical Proceedings of the Cambridge Philosophical Society 26(3), 376–385 (1930). DOI: https://doi.org/10.1017/S0305004100016108.

### `Faussurier2004`

G. Faussurier. Description of strongly coupled Yukawa fluids using the variational modified hypernetted chain approach. Physical Review E 69(6), 066402 (2004). DOI: https://doi.org/10.1103/PhysRevE.69.066402.

### `GeldartVosko1966`

D. J. W. Geldart, S. H. Vosko. The screening function of an interacting electron gas. Canadian Journal of Physics 44(9), 2137–2171 (1966). DOI: https://doi.org/10.1139/p66-174.

### `Gill2020`

Nathanael Matthew Gill. Modeling of Warm Dense Plasmas for the Determination of Transport Properties and Equation of State. (2020).

### `GillEtAl2015`

N. M. Gill, R. A. Heinonen, C. E. Starrett, D. Saumon. Ion-ion dynamic structure factor of warm dense mixtures. Physical Review E 91(6), 063109 (2015). DOI: https://doi.org/10.1103/PhysRevE.91.063109.

### `GregoriEtAl2007`

G. Gregori, A. Ravasio, A. Höll, S. H. Glenzer, S. J. Rose. Derivation of the static structure factor in strongly coupled non-equilibrium plasmas for X-ray scattering studies. High Energy Density Physics 3(1–2), 99–108 (2007). DOI: https://doi.org/10.1016/j.hedp.2007.02.006.

### `Hubbard1958`

J. Hubbard. The description of collective motions in terms of many-body perturbation theory. II. The correlation energy of a free-electron gas. Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences 243(1234), 336–352 (1958). DOI: https://doi.org/10.1098/rspa.1958.0003.

### `IchimaruEtAl1987`

S. Ichimaru, H. Iyetomi, S. Tanaka. Statistical physics of dense plasmas: Thermodynamics, transport coefficients and dynamic correlations. Physics Reports 149(2–3), 91–205 (1987). DOI: https://doi.org/10.1016/0370-1573(87)90125-6.

### `IyetomiOgataIchimaru1992`

Hiroshi Iyetomi, Shuji Ogata, Setsuo Ichimaru. Bridge functions and improvement on the hypernetted-chain approximation for classical one-component plasmas. Physical Review A 46(2), 1051–1058 (1992). DOI: https://doi.org/10.1103/PhysRevA.46.1051.

### `JohnsonEtAl2025`

Z. A. Johnson, N. R. Shaffer, M. S. Murillo. Quantum Ornstein–Zernike theory for two-temperature two-component plasmas. Physical Review E 112(2), 025207 (2025). DOI: https://doi.org/10.1103/5c29-kdx1.

### `LadoFoilesAshcroft1983`

F. Lado, S. M. Foiles, N. W. Ashcroft. Solutions of the reference-hypernetted-chain equation with minimized free energy. Physical Review A 28(4), 2374–2379 (1983). DOI: https://doi.org/10.1103/PhysRevA.28.2374.

### `LehtolaEtAl2018`

Susi Lehtola, Conrad Steigemann, Micael J. T. Oliveira, Miguel A. L. Marques. Recent developments in Libxc: A comprehensive library of functionals for density functional theory. SoftwareX 7, 1–5 (2018). DOI: https://doi.org/10.1016/j.softx.2017.11.002.

### `LehtolaMarques2023`

Susi Lehtola, Miguel A. L. Marques. Reproducibility of density functional approximations: How new functionals should be reported. The Journal of Chemical Physics 159(11), 114116 (2023). DOI: https://doi.org/10.1063/5.0167763.

### `LutgertEtAl2026`

Julian Lütgert, Samuel Schumacher, Johannes Rips, Chongbing Qu, Tilo Döppner, Dominik Kraus. jaxrts: A Python package for simulating X-ray Thomson scattering spectra from dense plasmas using jax. Computer Physics Communications 325, 110173 (2026). DOI: https://doi.org/10.1016/j.cpc.2026.110173.

### `Mermin1970`

N. D. Mermin. Lindhard Dielectric Function in the Relaxation-Time Approximation. Physical Review B 1(5), 2362–2363 (1970). DOI: https://doi.org/10.1103/PhysRevB.1.2362.

### `PerdewBurkeErnzerhof1996`

John P. Perdew, Kieron Burke, Matthias Ernzerhof. Generalized Gradient Approximation Made Simple. Physical Review Letters 77(18), 3865–3868 (1996). DOI: https://doi.org/10.1103/PhysRevLett.77.3865.

### `PerdewBurkeErnzerhof1997`

John P. Perdew, Kieron Burke, Matthias Ernzerhof. Erratum: Generalized Gradient Approximation Made Simple [Physical Review Letters 77, 3865 (1996)]. Physical Review Letters 78(7), 1396 (1997). DOI: https://doi.org/10.1103/PhysRevLett.78.1396.

### `PerdewWang1992`

John P. Perdew, Yue Wang. Accurate and simple analytic representation of the electron-gas correlation energy. Physical Review B 45(23), 13244–13249 (1992). DOI: https://doi.org/10.1103/PhysRevB.45.13244.

### `PerdewZunger1981`

John P. Perdew, Alex Zunger. Self-interaction correction to density-functional approximations for many-electron systems. Physical Review B 23(10), 5048–5079 (1981). DOI: https://doi.org/10.1103/PhysRevB.23.5048.

### `PillaiGoglioWalker2012`

Mohandas Pillai, Joshua Goglio, Thad G. Walker. Matrix Numerov method for solving Schrödinger's equation. American Journal of Physics 80(11), 1017–1019 (2012). DOI: https://doi.org/10.1119/1.4748813.

### `PinesBohm1952`

David Pines, David Bohm. A Collective Description of Electron Interactions: II. Collective vs Individual Particle Aspects of the Interactions. Physical Review 85(2), 338–353 (1952). DOI: https://doi.org/10.1103/PhysRev.85.338.

### `PironBlenski2011`

R. Piron, T. Blenski. Variational-average-atom-in-quantum-plasmas code and virial theorem: Equation-of-state and shock-Hugoniot calculations for warm dense Al, Fe, Cu, and Pb. Physical Review E 83(2), 026403 (2011). DOI: https://doi.org/10.1103/PhysRevE.83.026403.

### `RosenfeldAshcroft1979`

Yaakov Rosenfeld, N. W. Ashcroft. Theory of simple classical fluids: Universality in the short-range structure. Physical Review A 20(3), 1208–1235 (1979). DOI: https://doi.org/10.1103/PhysRevA.20.1208.

### `SchornerEtAl2022`

M. Schörner, H. R. Rüter, M. French, R. Redmer. Extending ab initio simulations for the ion-ion structure factor of warm dense aluminum to the hydrodynamic limit using neural network potentials. Physical Review B 105(17), 174310 (2022). DOI: https://doi.org/10.1103/PhysRevB.105.174310.

### `StarrettDaligaultSaumon2015`

C. E. Starrett, J. Daligault, D. Saumon. Pseudoatom molecular dynamics. Physical Review E 91(1), 013104 (2015). DOI: https://doi.org/10.1103/PhysRevE.91.013104.

### `StarrettEtAl2014`

C. E. Starrett, D. Saumon, J. Daligault, S. Hamel. Integral equation model for warm and hot dense mixtures. Physical Review E 90(3), 033110 (2014). DOI: https://doi.org/10.1103/PhysRevE.90.033110.

### `StarrettEtAl2019`

C. E. Starrett, N. R. Shaffer, T. Inerbaev, D. Saumon. Wide ranging equation of state with Tartarus: A hybrid Green's function/orbital based average atom code. Computer Physics Communications 235, 50–62 (2019). DOI: https://doi.org/10.1016/j.cpc.2018.10.002.

### `StarrettSaumon2013`

C. E. Starrett, D. Saumon. Electronic and ionic structures of warm and hot dense matter. Physical Review E 87(1), 013104 (2013). DOI: https://doi.org/10.1103/PhysRevE.87.013104.

### `StarrettSaumon2013Erratum`

C. E. Starrett, D. Saumon. Erratum: Electronic and ionic structures of warm and hot dense matter [Phys. Rev. E 87, 013104 (2013)]. Physical Review E 88(5), 059901 (2013). DOI: https://doi.org/10.1103/PhysRevE.88.059901.

### `StarrettSaumon2014`

C. E. Starrett, D. Saumon. A simple method for determining the ionic structure of warm dense matter. High Energy Density Physics 10, 35–42 (2014). DOI: https://doi.org/10.1016/j.hedp.2013.12.001.

### `StarrettSaumon2016`

C. E. Starrett, D. Saumon. Equation of state of dense plasmas with pseudoatom molecular dynamics. Physical Review E 93(6), 063206 (2016). DOI: https://doi.org/10.1103/PhysRevE.93.063206.

### `Thiele1963`

Everett Thiele. Equation of State for Hard Spheres. The Journal of Chemical Physics 39(2), 474–479 (1963). DOI: https://doi.org/10.1063/1.1734272.

### `ThompsonEtAl2022`

Aidan P. Thompson, Hasan Metin Aktulga, Richard Berger, Dan S. Bolintineanu, W. Michael Brown, Paul S. Crozier, Pieter J. in 't Veld, Axel Kohlmeyer, Stan G. Moore, Trung Dac Nguyen, Ray Shan, Mark J. Stevens, Julien Tranchida, Christian Trott, Steven J. Plimpton. LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales. Computer Physics Communications 271, 108171 (2022). DOI: https://doi.org/10.1016/j.cpc.2021.108171.

### `TiesingaEtAl2021`

Eite Tiesinga, Peter J. Mohr, David B. Newell, Barry N. Taylor. CODATA recommended values of the fundamental physical constants: 2018. Reviews of Modern Physics 93(2), 025010 (2021). DOI: https://doi.org/10.1103/RevModPhys.93.025010.

### `ToliasLuccoCastello2019`

P. Tolias, F. Lucco Castello. Isomorph-based empirically modified hypernetted-chain approach for strongly coupled Yukawa one-component plasmas. Physics of Plasmas 26(4), 043703 (2019). DOI: https://doi.org/10.1063/1.5089663.

### `UtsumiIchimaru1982`

Kenichi Utsumi, Setsuo Ichimaru. Dielectric formulation of strongly coupled electron liquids at metallic densities. VI. Analytic expression for the local-field correction. Physical Review A 26(1), 603–610 (1982). DOI: https://doi.org/10.1103/PhysRevA.26.603.

### `VashishtaSingwi1972`

P. Vashishta, K. S. Singwi. Electron correlations at metallic densities. Physical Review B 6(3), 875–887 (1972). DOI: https://doi.org/10.1103/PhysRevB.6.875.

### `VoskoWilkNusair1980`

S. H. Vosko, L. Wilk, M. Nusair. Accurate spin-dependent electron liquid correlation energies for local spin density calculations: A critical analysis. Canadian Journal of Physics 58(8), 1200–1211 (1980). DOI: https://doi.org/10.1139/p80-159.

### `Wertheim1963`

M. S. Wertheim. Exact Solution of the Percus–Yevick Integral Equation for Hard Spheres. Physical Review Letters 10(8), 321–323 (1963). DOI: https://doi.org/10.1103/PhysRevLett.10.321.

### `WilsonEtAl2006`

B. Wilson, V. Sonnad, P. Sterne, W. Isaacs. Purgatorio–-a new implementation of the Inferno algorithm. Journal of Quantitative Spectroscopy and Radiative Transfer 99(1–3), 658–679 (2006). DOI: https://doi.org/10.1016/j.jqsrt.2005.05.053.

### `WunschEtAl2009`

K. Wünsch, J. Vorberger, D. O. Gericke. Ion structure in warm dense matter: Benchmarking solutions of hypernetted-chain equations by first-principle simulations. Physical Review E 79(1), 010201 (2009). DOI: https://doi.org/10.1103/PhysRevE.79.010201.