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Abstract Wave‐particle duality, intertwining two inherently contradictory properties of quantum systems, remains one of the most conceptually profound aspects of quantum mechanics. By using the concept of energy capacity, the ability of a quantum system to store and extract energy, a device‐independent uncertainty relation is derived for wave‐particle duality. This relation is shown to be independent of both the representation space and the measurement basis of the quantum system. Furthermore, it is experimentally validated that this wave‐particle duality relation using a photon‐based platform. 

Dynamic protein structures are crucial for deciphering their diverse biological functions. Two-dimensional infrared (2DIR) spectroscopy stands as an ideal tool for tracing rapid conformational evolutions in proteins. However, linking spectral characteristics to dynamic structures poses a formidable challenge. Here, we present a pretrained machine learning model based on 2DIR spectra analysis. This model has learned signal features from approximately 204,300 spectra to establish a “spectrum-structure” correlation, thereby tracing the dynamic conformations of proteins. It excels in accurately predicting the dynamic content changes of various secondary structures and demonstrates universal transferability on real folding trajectories spanning timescales from microseconds to milliseconds. Beyond exceptional predictive performance, the model offers attention-based spectral explanations of dynamic conformational changes. Our 2DIR-based pretrained model is anticipated to provide unique insights into the dynamic structural information of proteins in their native environments. 

The confined variational method is used to study the elastic scattering of the positron from the ground-state helium with the scattering energy in the range from 0.05 eV to 11.02 eV. Describing the correlation effect with explicitly correlated Gaussians, we obtain accurate phase shifts, S-wave scattering length, elastic scattering cross sections, and annihilation parameters for different incident momenta. Specifically, by a least-squares fit of the data to the effective-range theory, we determine the room temperature annihilation parameter Zeff = 3.955, which is in perfect agreement with the measured result of 3.94 ± 0.02 [J. Phys. B 8, 1734 (1975)]. 

In high orbital angular momentum (ℓ ≥ 3) Rydberg states, the centrifugal barrier hinders the close approach of the Rydberg electron to the ion-core. As a result, these core-nonpenetrating Rydberg states can be well described by a simplified model in which the Rydberg electron is only weakly perturbed by the long-range electric properties (i.e., multipole moments and polarizabilities) of the ion-core. We have used a long-range model to describe the vibrational autoionization dynamics of high-ℓ Rydberg states of nitric oxide (NO). In particular, our model explains the extensive angular momentum exchange between the ion-core and the Rydberg electron that had been previously observed in vibrational autoionization of f (ℓ = 3) Rydberg states. These results shed light on a long-standing mechanistic question around these previous observations and support a direct, vibrational mechanism of autoionization over an indirect, predissociation-mediated mechanism. In addition, our model correctly predicts newly measured total decay rates of g (ℓ = 4) Rydberg states because for ℓ ≥ 4, the non-radiative decay is dominated by autoionization rather than predissociation. We examine the predicted NO+ ion rotational state distributions generated by vibrational autoionization of g states and discuss applications of our model to achieve quantum state selection in the production of molecular ions.