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physics.chem-ph2026
Variational low-energy subspaces for chemically accurate excited states
Clemens Giuliani, Rocco Martinazzo, Giuseppe Carleo +1
Accurate electronic excited states are essential for photochemistry, spectroscopy and non-adiabatic molecular dynamics, but high-level calculations often scale steeply and require…
physics.chem-ph2025
Precise Quantum Chemistry calculations with few Slater Determinants
Clemens Giuliani, Jannes Nys, Rocco Martinazzo +2
Slater determinants have underpinned quantum chemistry for nearly a century, yet their full potential has remained challenging to exploit. In this work, we show that a variational…