diff --git a/docs/methods/dft/hartree-fock/ri_kpoints.md b/docs/methods/dft/hartree-fock/ri_kpoints.md index a3116c1692..f9ef238ee5 100644 --- a/docs/methods/dft/hartree-fock/ri_kpoints.md +++ b/docs/methods/dft/hartree-fock/ri_kpoints.md @@ -5,9 +5,9 @@ in a slightly different flavor. Hartree-Fock exchange (HFX) has two distinct RI for [$\Gamma$-point calculations](./ri_gamma), and one for k-point sampling, which is covered on this page. -The implementation for RI-HFXk (with k-point sampling) is described in -[doi:10.1063/5.0189659](https://doi.org/10.1063/5.0189659). All files necessary to run the examples -discussed below can be found [here](https://github.com/cp2k/cp2k-examples/tree/master/RI_HFX). +The implementation for RI-HFXk (with k-point sampling) is described in [](#Bussy2024). All files +necessary to run the examples discussed below can be found +[here](https://github.com/cp2k/cp2k-examples/tree/master/RI_HFX). ## Application domain diff --git a/src/common/bibliography.F b/src/common/bibliography.F index caf5a7b194..7d7696b7cc 100644 --- a/src/common/bibliography.F +++ b/src/common/bibliography.F @@ -91,7 +91,7 @@ MODULE bibliography Rycroft2009, Thomas2015, Brehm2018, Brehm2020, Shigeta2001, Heinecke2016, & Brehm2021, Bussy2021a, Bussy2021b, Ditler2021, Ditler2022, Mattiat2019, & Mattiat2022, Belleflamme2023, Knizia2013, Musaelian2023, Eriksen2020, & - Bussy2023, Wang2018, Zeng2023, Graml2024, Solca2024, & + Bussy2023, Bussy2024, Wang2018, Zeng2023, Graml2024, Solca2024, & Caldeweyher2017, Caldeweyher2019, Caldeweyher2020, Freeman1977, Gruneis2009, & Stein2022, Stein2024, & Blase2018, Blase2020, Bruneval2015, Golze2019, Gui2018, Jacquemin2017, Liu2020, & @@ -1673,6 +1673,13 @@ CONTAINS source="J. Chem. Phys.", volume="158", issue="16", & year=2023, doi="10.1063/5.0144493") + CALL add_reference(key=Bussy2024, & + authors=s2a("Bussy, Augustin", "Hutter, Juerg"), & + title="Efficient periodic resolution-of-the-identity Hartree–Fock exchange "// & + "method with k-point sampling and Gaussian basis sets", & + source="J. Chem. Phys.", volume="160", issue="6", & + year=2024, doi="10.1063/5.0189659") + CALL add_reference(key=Heinecke2016, & authors=s2a("Heinecke, A", "Henry, G", "Hutchinson, M", "Pabst, H"), & title="LIBXSMM: Accelerating Small Matrix Multiplications by Runtime Code Generation", & diff --git a/src/hfx_ri_kp.F b/src/hfx_ri_kp.F index 109673b2a1..08a6706983 100644 --- a/src/hfx_ri_kp.F +++ b/src/hfx_ri_kp.F @@ -16,6 +16,8 @@ MODULE hfx_ri_kp get_atomic_kind_set USE basis_set_types, ONLY: get_gto_basis_set,& gto_basis_set_p_type + USE bibliography, ONLY: Bussy2024,& + cite_reference USE cell_types, ONLY: cell_type,& pbc,& real_to_scaled,& @@ -451,6 +453,8 @@ CONTAINS NULLIFY (para_env, para_env_sub, blacs_env_sub, hfx_section, dbcsr_template) + CALL cite_reference(Bussy2024) + CALL timeset(routineN, handle) CALL get_qs_env(qs_env, para_env=para_env, natom=natom)