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quant-ph2024
Probabilistic Parallels in the Classical Limit of Quantum Mechanical Models
Raghunathan Ramakrishnan
At large quantum numbers, the probability densities for particle-in-a-box or simple harmonic oscillator converge to the classical result upon coarse-graining the quantum mechanical…
physics.chem-ph2024★ 12 cited
Resilience of Hund's rule in the Chemical Space of Small Organic Molecules
Atreyee Majumdar, Raghunathan Ramakrishnan
We embark on a quest to identify small molecules in the chemical space that can potentially violate Hund's rule. Utilizing twelve TDDFT approximations and the ADC(2) many-body meth…