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Occupancy extrapolation can now compete with Bethe-Salpeter for excited state calculations, but with better performance on triplet and Rydberg states.
Multi-agent systems for automated research face a fundamental trade-off: parallel exploration offers speed and stability, while expert teams unlock deeper reasoning at the cost of increased fragility.
The velocity gauge offers a surprisingly simple and accurate way to calculate oscillator strengths in $\Delta$SCF theory, sidestepping the need for complex corrections to address Kohn-Sham determinant non-orthogonality.
