Related papers: A Method Based on a Nonlinear Generalized Heisenbe…
We introduce a novel and concise methodology to detect the parity of atomic and molecular orbitals based on photoelectron holography, which is more general than the existing schemes. It fully accounts for the Coulomb distortions of electron…
Accurate low and high-lying bound states of Tietz-Hua oscillator potential are presented. The radial Schr\"odinger equation is solved efficiently by means of the generalized pseudospectral method that enables optimal spatial discretization.…
A common task is the determination of system parameters from spectroscopy, where one compares the experimental spectrum with calculated spectra, that depend on the desired parameters. Here we discuss an approach based on a machine learning…
Quantum molecular dynamics requires an accurate representation of the molecular potential energy surface from a minimal number of electronic structure calculations, particularly for nonadiabatic dynamics where excited states are required.…
The theoretical prediction of the rates of nonradiative processes in molecules is fundamental to assess their emissive properties. In this context, global harmonic models have been widely used to simulate vibronic spectra as well as…
We explore some explicit representations of a certain stable deformed algebra of quantum mechanics, considered by R. Vilela Mendes, having a fundamental length scale. The relation of the irreducible representations of the deformed algebra…
We have recently seen the first plausible claims for quantum advantage using sampling problems such as random circuit sampling and Gaussian boson sampling. The obvious next step is to channel the potential quantum advantage to solving…
High-order harmonic generation is a powerful and sensitive tool for probing atomic and molecular structures, combining in the same measurement an unprecedented attosecond temporal resolution with a high spatial resolution, of the order of…
A generalization of the Heisenberg algebra has been recently constructed. This generalized algebra has a characteristic function which depends on one of its generators. When this function is linear, $qJ_0+s$, it is possible to construct a…
Simulating vibrationally resolved electronic spectra of anharmonic systems, especially those involving double-well potential energy surfaces, often requires expensive quantum dynamics methods. Here, we explore the applicability and…
In the present article, we combine some techniques in the harmonic analysis together with the geometric approach given by modules over sheaves of rings of twisted differential operators ($\mathcal{D}$-modules), and reformulate the…
We present the application of a novel method of time-series analysis, the Hilbert-Huang Transform, to the search for gravitational waves. This algorithm is adaptive and does not impose a basis set on the data, and thus the time-frequency…
To evaluate vibronic spectra beyond the Condon approximation, we extend the on-the-fly ab initio thawed Gaussian approximation by considering the Herzberg-Teller contribution due to the dependence of the electronic transition dipole moment…
We have constructed a Heisenberg-type algebra generated by the Hamiltonian, the step operators and an auxiliar operator. This algebra describes quantum systems having eigenvalues of the Hamiltonian depending on the eigenvalues of the two…
We study numerically the spectrum of the non-Hermitian effective Hamiltonian that describes the dipolar interaction of a gas of $N\gg 1$ atoms with the radiation field. We analyze the interplay between cooperative effects and disorder for…
Strong field photoemission and electron recollision provide a viable route to extract electronic and nuclear dynamics from molecular targets with attosecond temporal resolution. However, since an {\em ab-initio} treatment of even the…
Due to one of the most representative contributions to the energy in diatomic molecules being the vibrational, we consider the generalized Morse potential (GMP) as one of the typical potential of interaction for one-dimensional microscopic…
Using a photonic quantum computer for boson sampling has been demonstrated a tremendous advantage over classical supercomputers. It is highly desirable to develop boson sampling algorithms for realistic scientific problems. In this work, we…
A theoretical study is reported of the molecular-to-atomic transition in solid hydrogen at high pressure. We use the diffusion quantum Monte Carlo method to calculate the static lattice energies of the competing phases and a…
Using the Wigner-Heisenberg algebra for bosonic systems in connection with oscillators we find a new representation for the Virasoro algebra.