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From Ground State to Electronic and Vibronic Spectra via Memory Kernel Coupling Theory and Neural Quantum States

He, Xinchen et al.
arXiv (All) · Papers
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chemical-physicsquantum-physics
Modelling molecular absorption spectra from scalable ground-state representations is challenging because conventional approaches often require explicit excited states or time propagation. Here, we introduce a method to obtain Absorption Using Recursive Operator Response with vibronic Augmentation (A
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