get_citation Function

pure function get_citation(doi) result(citation)
   !> Digital Object Identifier (DOI) of the publication
   character(len=*), intent(in) :: doi
   !> The citation data
   type(citation_type) :: citation

   select case(doi)
   case(doi_dftd3_0)
      citation = new_citation( &
         doi=doi, &
         title="A consistent and accurate ab initio parametrization of density functional &
         & dispersion correction (DFT-D) for the 94 elements H-Pu", &
         author=[ &
         & author_name("Stefan Grimme"), &
         & author_name("Jens Antony"), &
         & author_name("Stephan Ehrlich"), &
         & author_name("Helge Krieg")], &
         journal="J. Chem. Phys.", &
         volume="132", &
         pages="154104", &
         year="2010" &
      )
      
   case(doi_dftd3_bj)
      citation = new_citation( &
         doi=doi, &
         title="Effect of the damping function in dispersion corrected density functional theory", &
         author=[ &
         & author_name("Stefan Grimme"), &
         & author_name("Stephan Ehrlich"), &
         & author_name("Lars Goerigk")], &
         journal="J. Comput. Chem.", &
         issue="7", &
         volume="32", &
         pages="1456-1465", &
         year="2011" &
      )
      
   case(doi_dftd3_m)
      citation = new_citation( &
         doi=doi, &
         title="Revised Damping Parameters for the D3 Dispersion Correction to Density Functional Theory", &
         author=[ &
         & author_name("Daniel G. A. Smith"), &
         & author_name("Lori A. Burns"), &
         & author_name("Konrad Patkowski"), &
         & author_name("C. David Sherrill")], &
         journal="J. Phys. Chem. Lett.", &
         issue="12", &
         volume="7", &
         pages="2197-2203", &
         year="2016" &
      )
      
   case(doi_dftd3_op)
      citation = new_citation( &
         doi=doi, &
         title="Assessing DFT-D3 Damping Functions Across Widely Used Density Functionals: Can We Do Better?", &
         author=[ &
         & author_name("Jonathon Witte"), &
         & author_name("Narbe Mardirossian"), &
         & author_name("Jeffrey B. Neaton"), &
         & author_name("Martin Head-Gordon")], &
         journal="J. Chem. Theory Comput.", &
         issue="5", &
         volume="13", &
         pages="2043-2052", &
         year="2017" &
      )
      
   case(doi_gmtkn30_0)
      citation = new_citation( &
         doi=doi, &
         title="Efficient and Accurate Double-Hybrid-Meta-GGA Density Functionals—Evaluation &
         & with the Extended GMTKN30 Database for General Main Group Thermochemistry, Kinetics, &
         & and Noncovalent Interactions", &
         author=[ &
         & author_name("Lars Goerigk"), &
         & author_name("Stefan Grimme")], &
         journal="J. Chem. Theory Comput.", &
         issue="2", &
         volume="7", &
         pages="291-309", &
         year="2011" &
      )
      
   case(doi_gmtkn30_bj)
      citation = new_citation( &
         doi=doi, &
         title="A thorough benchmark of density functional methods for general main group &
         & thermochemistry, kinetics, and noncovalent interactions", &
         author=[ &
         & author_name("Lars Goerigk"), &
         & author_name("Stefan Grimme")], &
         journal="Phys. Chem. Chem. Phys.", &
         issue="14", &
         volume="13", &
         pages="6670-6688", &
         year="2011" &
      )
      
   case(doi_gmtkn55)
      citation = new_citation( &
         doi=doi, &
         title="A look at the density functional theory zoo with the advanced GMTKN55 &
         & database for general main group thermochemistry, kinetics and noncovalent interactions", &
         author=[ &
         & author_name("Lars Goerigk"), &
         & author_name("Andreas Hansen"), &
         & author_name("Christoph Bauer"), &
         & author_name("Stephan Ehrlich"), &
         & author_name("Asim Najibi"), &
         & author_name("Stefan Grimme")], &
         journal="Phys. Chem. Chem. Phys.", &
         issue="48", &
         volume="19", &
         pages="32184-32215", &
         year="2017" &
      )
      
   case(doi_dsd)
      citation = new_citation( &
         doi=doi, &
         title="Spin-component-scaled double hybrids: An extensive search for the best fifth-rung &
         & functionals blending DFT and perturbation theory", &
         author=[ &
         & author_name("Sebastian Kozuch"), &
         & author_name("Jan M. L. Martin")], &
         journal="J. Comput. Chem.", &
         issue="27", &
         volume="34", &
         pages="2327-2344", &
         year="2013" &
      )
      
   case(doi_dsdpbep86)
      citation = new_citation( &
         doi=doi, &
         title="DSD-PBEP86: in search of the best double-hybrid DFT with spin-component scaled &
         & MP2 and dispersion corrections", &
         author=[ &
         & author_name("Sebastian Kozuch"), &
         & author_name("Jan M. L. Martin")], &
         journal="Phys. Chem. Chem. Phys.", &
         issue="45", &
         volume="13", &
         pages="20104-20107", &
         year="2011" &
      )
      
   case(doi_drpa)
      citation = new_citation( &
         doi=doi, &
         title="Exploring Avenues beyond Revised DSD Functionals: II. Random-Phase Approximation and Scaled MP3 Corrections", &
         author=[ &
         & author_name("Golokesh Santra"), &
         & author_name("Emmanouil Semidalas"), &
         & author_name("Jan M. L. Martin")], &
         journal="J. Phys. Chem. A", &
         issue="21", &
         volume="125", &
         pages="4628-4638", &
         year="2021" &
      )
      
   case(doi_revdsd)
      citation = new_citation( &
         doi=doi, &
         title="Minimally Empirical Double-Hybrid Functionals Trained against the GMTKN55 Database: &
         & revDSD-PBEP86-D4, revDOD-PBE-D4, and DOD-SCAN-D4", &
         author=[ &
         & author_name("Golokesh Santra"), &
         & author_name("Nitai Sylvetsky"), &
         & author_name("Jan M. L. Martin")], &
         journal="J. Phys. Chem. A", &
         issue="24", &
         volume="123", &
         pages="5129-5143", &
         year="2019" &
      )
      
   case(doi_pw91_d3)
      citation = new_citation( &
         doi=doi, &
         title="A priori calculations of the free energy of formation from solution of polymorphic &
         & self-assembled monolayers", &
         author=[ &
         & author_name("Jeffrey R. Reimers"), &
         & author_name("Dwi Panduwinata"), &
         & author_name("Johan Visser"), &
         & author_name("Maxwell J. Crossley")], &
         journal="Proc. Natl. Acad. Sci.", &
         issue="45", &
         volume="112", &
         pages="E6101-E6110", &
         year="2015" &
      )
      
   case(doi_r2scan_d4)
      citation = new_citation( &
         doi=doi, &
         title="r²SCAN-D4: Dispersion corrected meta-generalized gradient approximation for general &
         & chemical applications", &
         author=[ &
         & author_name("Sebastian Ehlert"), &
         & author_name("Uwe Huniar"), &
         & author_name("Jinliang Ning"), &
         & author_name("James W. Furness"), &
         & author_name("Jianwei Sun"), &
         & author_name("Aaron D. Kaplan"), &
         & author_name("John P. Perdew"), &
         & author_name("Jan Gerit Brandenburg")], &
         journal="J. Chem. Phys.", &
         volume="154", &
         pages="061101", &
         year="2021" &
      )
      
   case(doi_scan_d3)
      citation = new_citation( &
         doi=doi, &
         title="Benchmark tests of a strongly constrained semilocal functional with a &
         & long-range dispersion correction", &
         author=[ &
         & author_name("J. G. Brandenburg"), &
         & author_name("J. E. Bates"), &
         & author_name("J. Sun"), &
         & author_name("J. P. Perdew")], &
         journal="Phys. Rev. B", &
         volume="94", &
         pages="115144", &
         year="2016" &
      )
      
   case(doi_pbeh3c)
      citation = new_citation( &
         doi=doi, &
         title="Consistent structures and interactions by density functional theory &
         & with small atomic orbital basis sets", &
         author=[ &
         & author_name("Stefan Grimme"), &
         & author_name("Jan Gerit Brandenburg"), &
         & author_name("Christoph Bannwarth"), &
         & author_name("Andreas Hansen")], &
         journal="J. Chem. Phys.", &
         volume="143", &
         pages="054107", &
         year="2015" &
      )
      
   case(doi_hse3c)
      citation = new_citation( &
         doi=doi, &
         title="Screened exchange hybrid density functional for accurate and efficient &
         & structures and interaction energies", &
         author=[ &
         & author_name("Jan Gerit Brandenburg"), &
         & author_name("Eike Caldeweyher"), &
         & author_name("Stefan Grimme")], &
         journal="Phys. Chem. Chem. Phys.", &
         issue="23", &
         volume="18", &
         pages="15519-15523", &
         year="2016" &
      )
      
   case(doi_b973c)
      citation = new_citation( &
         doi=doi, &
         title="B97-3c: A revised low-cost variant of the B97-D density functional method", &
         author=[ &
         & author_name("Jan Gerit Brandenburg"), &
         & author_name("Christoph Bannwarth"), &
         & author_name("Andreas Hansen"), &
         & author_name("Stefan Grimme")], &
         journal="J. Chem. Phys.", &
         volume=" 148", &
         pages="064104", &
         year="2018" &
      )
      
   case(doi_hf3c)
      citation = new_citation( &
         doi=doi, &
         title="Corrected small basis set Hartree-Fock method for large systems", &
         author=[ &
         & author_name("Rebecca Sure"), &
         & author_name("Stefan Grimme")], &
         journal="J. Comput. Chem.", &
         issue="19", &
         volume="34", &
         pages="1672-1685", &
         year="2013" &
      )
      
   case(doi_gcp)
      citation = new_citation( &
         doi=doi, &
         title="A geometrical correction for the inter- and intra-molecular basis set &
         & superposition error in Hartree-Fock and density functional theory calculations for large systems", &
         author=[ &
         & author_name("Holger Kruse"), &
         & author_name("Stefan Grimme")], &
         journal="J. Chem. Phys.", &
         volume="136", &
         pages="154101", &
         year="2012" &
      )
      
   case(doi_d3pbc)
      citation = new_citation( &
         doi=doi, &
         title="System-Dependent Dispersion Coefficients for the DFT-D3 Treatment of &
         & Adsorption Processes on Ionic Surfaces", &
         author=[ &
         & author_name("Stephan Ehrlich"), &
         & author_name("Jonas Moellmann"), &
         & author_name("Werner Reckien"), &
         & author_name("Thomas Bredow"), &
         & author_name("Stefan Grimme")], &
         journal="ChemPhysChem", &
         issue="17", &
         volume="12", &
         pages="3414", &
         year="2011" &
      )
      
   case(doi_r2scan_hyb)
      citation = new_citation( &
         doi=doi, &
         title="Dispersion corrected r²SCAN based global hybrid functionals: r²SCANh, r²SCAN0, and r²SCAN50", &
         author=[ &
         & author_name("Markus Bursch"), &
         & author_name("Hagen Neugebauer"), &
         & author_name("Sebastian Ehlert"), &
         & author_name("Stefan Grimme")], &
         journal="J. Chem. Phys.", &
         volume="156", &
         pages="134105", &
         year="2022" &
      )
      
   case(doi_r2scan_dhdf)
      citation = new_citation( &
         doi=doi, &
         title="Dispersion-corrected r²SCAN based double-hybrid functionals", &
         author=[ &
         & author_name("Lukas Wittmann"), &
         & author_name("Hagen Neugebauer"), &
         & author_name("Stefan Grimme"), &
         & author_name("Markus Bursch")], &
         journal="J. Chem. Phys.", &
         volume="159", &
         pages="224103", &
         year="2023" &
      )
      
   case(doi_minnesota_d3)
      citation = new_citation( &
         doi=doi, &
         title="Treating London-Dispersion Effects with the Latest Minnesota Density Functionals: &
         & Problems and Possible Solutions", &
         author=[ &
         & author_name("Lars Goerigk")], &
         journal="J. Phys. Chem. Lett.", &
         issue="19", &
         volume="6", &
         pages="3891-3896", &
         year="2015" &
      )
      
   case(doi_b97m_d3)
      citation = new_citation( &
         doi=doi, &
         title="The Nonlocal Kernel in van der Waals Density Functionals as an Additive Correction: &
         & An Extensive Analysis with Special Emphasis on the B97M-V and ωB97M-V Approaches", &
         author=[ &
         & author_name("Asim Najibi"), &
         & author_name("Lars Goerigk")], &
         journal="J. Chem. Theory Comput.", &
         issue="11", &
         volume="14", &
         pages="5725-5738", &
         year="2018" &
      )
      
   case(doi_wb97x_d3)
      citation = new_citation( &
         doi=doi, &
         title="Long-Range Corrected Hybrid Density Functionals with Improved Dispersion Corrections", &
         author=[ &
         & author_name("You-Sheng Lin"), &
         & author_name("Guan-De Li"), &
         & author_name("Shan-Ping Mao"), &
         & author_name("Jeng-Da Chai")], &
         journal="J. Chem. Theory Comput.", &
         issue="1", &
         volume="9", &
         pages="263-272", &
         year="2013" &
      )
      
   case(doi_hse06_d3)
      citation = new_citation( &
         doi=doi, &
         title="DFT-D3 Study of Some Molecular Crystals", &
         author=[ &
         & author_name("Jonas Moellmann"), &
         & author_name("Stefan Grimme")], &
         journal="J. Phys. Chem. C", &
         issue="14", &
         volume="118", &
         pages="7615-7621", &
         year="2014" &
      )
      
   case(doi_joss)
      citation = new_citation( &
         doi=doi, &
         title="Simple DFT-D3: Library first implementation of the D3 dispersion correction", &
         author=[ &
         & author_name("Sebastian Ehlert")], &
         journal="J. Open Source Softw.", &
         issue="103", &
         volume="9", &
         pages="7169", &
         year="2024" &
      )
   end select
end function get_citation