Convex Hartree-Fock theory for modeling ground state conical intersections. [PDF]
Commun ChemRossi F, Koch H.
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The Role of Charge Resonances in the Benzene Dimer. [PDF]
ACS Phys Chem AuBalbi A +3 more
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Cartesian equivariant representations for learning and understanding molecular orbitals. [PDF]
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Reduced Density Matrix and Cumulant Approximations of Quantum Linear Response. [PDF]
J Chem Theory Computvon Buchwald TJ +5 more
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Any Topological Recursion on a Rational Spectral Curve is KP Integrable. [PDF]
Commun Math PhysAlexandrov A +4 more
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Bridging the gap between molecules and materials in quantum chemistry with localized active spaces. [PDF]
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Formulation of an Efficient O(<i>M</i><sup>4</sup>)-Scaling Explicitly Correlated MP2-F12 Correction by Combining Numerical Quadrature with Density Fitting and CABS-RI. [PDF]
J Chem Theory ComputUrban L +3 more
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A Hybrid Quantum Computing Method for UV-Vis Spectroscopy of Solvated Molecules at Room Temperature. [PDF]
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Modeling Strong Light-Matter Coupling in Correlated Systems: State-Averaged Cavity Quantum Electrodynamics Complete Active Space Self-Consistent Field Theory. [PDF]
J Chem Theory ComputVu N +5 more
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A Mathematical Analysis of IPT-DMFT. [PDF]
Commun Math PhysCancès E, Kirsch A, Perrin-Roussel S.
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