Related papers: On the universality of spectroscopic constants of …
We study the large amplitude response of classical molecules to electromagnetic radiation, showing the universality of the transition from the linear to nonlinear response and brakeup at sufficiently large amplitudes. A range of models,…
The elastic scattering amplitudes of indistinguishable, bosonic, strongly-polar molecules possess universal properties at the coldest temperatures due to wave propagation in the long-range dipole-dipole field. Universal scattering cross…
Motivated by the recent article of P. Shea {\it et al.} [Am. J. Phys. {\bf 77} (6), 2009] we examine the exactly solvable problem of two harmonically trapped ultra-cold bosonic atoms interacting {\it via} a short range potential in one and…
We calculate the eigenstates of a diatomic molecule in a range of model mean-field potentials, and evaluate the evolution of their associated Raman spectra with field strength. We demonstrate that dramatic changes in the appearance of the…
Time-resolved Raman spectroscopy techniques offer various ways to study the dynamics of molecular vibrations in liquids or gases and optical phonons in crystals. While these techniques give access to the coherence time of the vibrational…
A new approach to chemical bonding is introduced in order to provide an improved understanding of the connection between basic quantum mechanics and the covalent pair bond. It's focus is on the fact that the energy of the bond is largely…
Spectral densities encode non-perturbative information that enters the calculation of a plethora of physical observables in strongly coupled field theories. Phenomenological applications encompass aspects of standard-model hadronic physics,…
Machine learning (ML) plays an important role in quantum chemistry, providing fast-to-evaluate predictive models for various properties of molecules. However, most existing ML models for molecular electronic properties use density…
Over the past decade we have developed Koopmans functionals, a computationally efficient approach for predicting spectral properties with an orbital-density-dependent functional framework. These functionals impose a generalized piecewise…
Quantum beats in nonlinear spectroscopy of molecular aggregates are often attributed to electronic phenomena of excitonic systems, while nuclear degrees of freedom are commonly included into models as overdamped oscillations of bath…
Embedding molecular symmetries into machine-learning models is key for efficient learning of chemico-physical scalar properties, but little evidence on how to extend the same strategy to tensorial quantities exists. Here we formulate a…
Integrable Quantum Field Theories can be solved exactly using bootstrap techniques based on their elastic and factorisable S-matrix. While knowledge of the scattering amplitudes reveals the exact spectrum of particles and their on-shell…
For random matrices with block correlation structure we show that the fluctuations of linear eigenvalue statistics are Gaussian on all mesoscopic scales with universal variance which coincides with that of the Gaussian unitary or Gaussian…
We derive an exact representation of the exchange-correlation energy within density functional theory (DFT) which spawns a class of approximations leading to correct long-range asymptotic behavior. In what amounts to be the simplest…
Using the method of quantum-defect theory, we calculate the ultralong-range molecular vibrational states near the dissociation threshold of a diatomic molecular potential which asymptotically varies as $-1/R^3$. The properties of these…
The theory of continuous phase transitions predicts the universal collective properties of a physical system near a critical point, which for instance manifest in characteristic power-law behaviours of physical observables. The…
The progress of Particle Physics is closely linked to the progress in the understanding of the fundamental constants, like the finestructure constant, the mass of the electron or nucleon, or the electroweak mixing angle. The relation…
We show that the vibrational response of a glassy liquid at finite frequencies can be described by continuum mechanics despite the vast degeneracy of the vibrational ground state; standard continuum elasticity assumes a unique ground state.…
We present ultra-fast quantum chemical methods for the calculation of infrared and ultraviolet-visible spectra designed to provide fingerprint information during autonomous and interactive explorations of molecular structures.…
We derive the statistical limit of the spectral autocorrelation function and of the survival probability for the indirect photodissociation of molecules in the regime of non-overlapping resonances. The results are derived in the framework…