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Fragment quantum embedding using the Householder transformation: A multi-state extension based on ensembles

by Cernatic, Filip, Fromager, Emmanuel, Yalouz, Saad
Published in The Journal of chemical physics (28.09.2024)

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Extended N-centered ensemble density functional theory of double electronic excitations

by Cernatic, Filip, Fromager, Emmanuel
Published in Journal of computational chemistry (15.08.2024)

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Ensemble Density Functional Theory of Neutral and Charged Excitations: Exact Formulations, Standard Approximations, and Open Questions

by Cernatic, Filip, Senjean, Bruno, Robert, Vincent, Fromager, Emmanuel
Published in Topics in current chemistry (2016) (01.02.2022)

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Ensemble Density Functional Theory of Neutral and Charged Excitations

by Cernatic, Filip, Senjean, Bruno, Robert, Vincent, Fromager, Emmanuel
Published in Topics in current chemistry (2016) (01.02.2022)

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Extended $N$-centered ensemble density functional theory of double electronic excitations

by Cernatic, Filip, Fromager, Emmanuel
Year of Publication 11.02.2024

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Fragment quantum embedding using the Householder transformation: a multi-state extension based on ensembles

by Cernatic, Filip, Fromager, Emmanuel, Yalouz, Saad
Published in arXiv.org (02.09.2024)

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$Extended $N$-centered ensemble density functional theory of double electronic excitations$

Extended $N$-centered ensemble density functional theory of double electronic excitations

by Cernatic, Filip, Fromager, Emmanuel
Published in arXiv.org (11.02.2024)

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Neutral electronic excitations and derivative discontinuities: An extended $N$-centered ensemble density functional theory perspective

by Cernatic, Filip, Loos, Pierre-François, Senjean, Bruno, Fromager, Emmanuel
Year of Publication 09.01.2024

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Ensemble Density Functional Theory of Neutral and Charged Excitations

by Cernatic, Filip, Senjean, Bruno, Vincent, Robert, Fromager, Emmanuel
Published in arXiv.org (01.11.2021)

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$Neutral electronic excitations and derivative discontinuities: An extended $N$-centered ensemble density functional theory perspective$

Neutral electronic excitations and derivative discontinuities: An extended $N$-centered ensemble density functional theory perspective

by Cernatic, Filip, Loos, Pierre-François, Senjean, Bruno, Fromager, Emmanuel
Published in arXiv.org (27.04.2024)

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Paper

Fragment quantum embedding using the Householder transformation: A multi-state extension based on ensembles

Extended N-centered ensemble density functional theory of double electronic excitations

Ensemble Density Functional Theory of Neutral and Charged Excitations: Exact Formulations, Standard Approximations, and Open Questions

Ensemble Density Functional Theory of Neutral and Charged Excitations

Extended $N$-centered ensemble density functional theory of double electronic excitations

Fragment quantum embedding using the Householder transformation: a multi-state extension based on ensembles

Extended \(N\)-centered ensemble density functional theory of double electronic excitations

Neutral electronic excitations and derivative discontinuities: An extended $N$-centered ensemble density functional theory perspective

Ensemble Density Functional Theory of Neutral and Charged Excitations

Neutral electronic excitations and derivative discontinuities: An extended \(N\)-centered ensemble density functional theory perspective

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