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en:pageperso:ef:publis [2022/01/18 11:32]
fromager [Emmanuel FROMAGER - Publications]
en:pageperso:ef:publis [2022/08/14 10:11] (current)
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 **Full list:**\\ **Full list:**\\
  
-__[[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://​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]] 
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 +__[[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]]
 
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