Spin-Adapted Restricted Open-Shell Hartree-Fock and Its Dynamic Correlation Extension. [PDF]
J Chem Theory ComputSong M +4 more
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Training the parametric interactions in an analog bosonic quantum neural network with Fock basis measurement. [PDF]
Sci RepDudas J +4 more
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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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A COMBINATORIAL DECOMPOSITION OF HIGHER LEVEL FOCK SPACES
We give a simple characterization of the highest weight vertices in the crystal graph of the level l Fock spaces. This characterization is based on the notion of totally periodic symbols viewed as affine analogues of reverse lattice words classically ...
Jacon, Nicolas, Lecouvey, Cédric
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Convex Hartree-Fock theory for modeling ground state conical intersections. [PDF]
Commun ChemRossi F, Koch H.
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Cartesian equivariant representations for learning and understanding molecular orbitals. [PDF]
Proc Natl Acad Sci U S AKing DS +6 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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Reduced Density Matrix and Cumulant Approximations of Quantum Linear Response. [PDF]
J Chem Theory Computvon Buchwald TJ +5 more
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Bridging the gap between molecules and materials in quantum chemistry with localized active spaces. [PDF]
Nat CommunKing DS +3 more
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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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