Publications

Why Projection-Based DMRG-in-DFT Cannot Be Exact, Even with the Exact Exchange-Correlation Functional,
E. Monino, D. Drwal, M. Hapka, L. Veis, K. Pernal
submitted to J. Chem. Phys. (2026)

Auxiliary many-body wavefunctions for TDDFRT electronic excited states: consequences for the representation of molecular electronic transitions,
J. Morere, E. Monino, T. Etienne
J. Math. Chem. 64, 13 (2026).

Boundary values for the charge transferred during an electronic transition: insights from matrix analysis,
E. Monino, J. Morere and T. Etienne
submitted to J. Math. Chem. (2026)

Projection-Based DMRG-in-DFT Embedding Corrected by Nonadditive Exchange Correlation,
E. Monino, D. Drwal, P. Beran, M. Hapka, L. Veis, K. Pernal
J. Chem. Theory Comput. 22, 1780 (2026).

Multireference Theory of Scanning Tunneling Spectroscopy Beyond One-Electron Molecular Orbitals: Can We Image Molecular Orbitals?,
M. Kumar, D. Soler-Polo, M. Lozano, E. Monino, L. Veis, P. Jelinek
J. Am. Chem. Soc. 147, 28, 24993–25003 (2025)

QCMATH: Mathematica modules for electronic structure calculations,
E. Monino, A. Marie and P. F. Loos
arXiv, 2308.14890 [physics.chem-p] (2023).

Connections and performances of Green’s function methods for charged and neutral excitations,
E. Monino and P. F. Loos
J. Chem. Phys. 159, 034105 (2023).

Connections between many-body perturbation and coupled-cluster theories,
R. Quintero-Monsebaiz, E. Monino, A. Marie, and P. F. Loos
J. Chem. Phys. (Open Access) 157, 231102 (2022).

Reference energies for cyclobutadiene: automerization and excited states,
E. Monino, M. Boggio-Pasqua, A. Scemama, D. Jacquemin, and P. F. Loos
J. Phys. Chem. A 126, 4664 (2022).

Unphysical discontinuities, intruder states and regularization in GW methods,
E. Monino and P. F. Loos
J. Chem. Phys. (Open Access) 156, 231101 (2022).

Spin-conserved and spin-flip optical excitations from the Bethe-Salpeter equation formalism,
E. Monino and P. F. Loos
J. Chem. Theory Comput. (Open Access) 17, 2852 (2021).