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en:pageperso:ef:publis [2022/02/17 08:37] fromager [Emmanuel FROMAGER - Publications] |
en:pageperso:ef:publis [2022/08/14 10:11] (current) |
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- | __[[https://arxiv.org/abs/2202.08071|Publi. 46:]]__ "Local Potential Functional Embedding Theory: A Self-Consistent Flavor of Density Functional Theory for Lattices without Density Functionals"- S. Sekaran, M. Saubanère, and E. Fromager (2022), **[invited paper, special issue of //Computation// in honour of Karlheinz Schwarz on the occasion of his 80th birthday]**, Preprint: [[https://arxiv.org/abs/2202.08071|arXiv:2202.08071]] | + | __[[https://doi.org/10.1039/D2CP02827A|Publi. 48:]]__ "DFT Exchange: Sharing Perspectives on the Workhorse of Quantum Chemistry and Materials Science"- A. Teale, T. Helgaker, A. Savin, ..., E. Fromager, //et al.// //Phys. Chem. Chem. Phys.// (accepted), 2022, Preprint: [[https://chemrxiv.org/engage/chemrxiv/article-details/62974da519595958f0bcc339|10.26434/chemrxiv-2022-13j2v]] |
- | __[[https://doi.org/10.1007/s41061-021-00359-1|Publi. 45:]]__ "Ensemble Density Functional Theory of Neutral and Charged Excitations"- F. Cernatic, B. Senjean, V. Robert, and E. Fromager, //Top Curr Chem (Z)// **380**, 4 (2022). **[review article, //topical collection "New Horizon in Computational Chemistry Software"//]**, Preprint: [[https://arxiv.org/abs/2109.04943|arXiv:2109.04943]] | + | __[[https://arxiv.org/abs/2204.00699|Publi. 47:]]__ "Reduced density matrix functional theory from an ab initio seniority-zero wave function: Exact and approximate formulations along adiabatic connection paths"- B. Senjean, S. Yalouz, N. Nakatani, and E. Fromager, // Phys. Rev. A// (accepted), 2022, Preprint: [[https://arxiv.org/abs/2204.00699|arXiv:2204.00699]] |
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+ | __[[https://doi.org/10.3390/computation10030045|Publi. 46:]]__ "Local Potential Functional Embedding Theory: A Self-Consistent Flavor of Density Functional Theory for Lattices without Density Functionals"- S. Sekaran, M. Saubanère, and E. Fromager, //Computation// **2022**, //10//, 45. **[invited paper in the special issue of //Computation// in honour of Karlheinz Schwarz on the occasion of his 80th birthday]** Preprint: [[https://arxiv.org/abs/2202.08071|arXiv:2202.08071]] | ||
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+ | __[[https://doi.org/10.1007/s41061-021-00359-1|Publi. 45:]]__ "Ensemble Density Functional Theory of Neutral and Charged Excitations"- F. Cernatic, B. Senjean, V. Robert, and E. Fromager, //Top Curr Chem (Z)// **380**, 4 (2022). **[Book chapter, //topical collection "New Horizon in Computational Chemistry Software"//]**, Preprint: [[https://arxiv.org/abs/2109.04943|arXiv:2109.04943]] | ||
__[[https://doi.org/10.1103/PhysRevB.104.035121|Publi. 44:]]__ "Householder transformed density matrix functional embedding theory"- S. Sekaran, M. Tsuchiizu, M. Saubanère, and E. Fromager, //Phys. Rev. B// **104**, 035121 (2021), Preprint: [[https://arxiv.org/abs/2103.04194|arXiv:2103.04194]] | __[[https://doi.org/10.1103/PhysRevB.104.035121|Publi. 44:]]__ "Householder transformed density matrix functional embedding theory"- S. Sekaran, M. Tsuchiizu, M. Saubanère, and E. Fromager, //Phys. Rev. B// **104**, 035121 (2021), Preprint: [[https://arxiv.org/abs/2103.04194|arXiv:2103.04194]] |