相关论文: Extracting molecular potentials from insufficient …
A Generalized Morse Potential (GMP) is an extension of the Morse Potential (MP) with an additional exponential term and an additional parameter that compensate for MP's erroneous behavior in the long range part of the interaction potential.…
We present a practical workflow to compute the potential energy curve of the hydrogen molecule on near intermediate-scale quantum (NISQ) devices. The proposed approach uses an extrapolation scheme to deliver, with only few qubits, full…
The potential of mean-field decomposition techniques in interpreting electronic transitions in molecules is explored, particularly, the usefulness of these for offering computational signatures of different classes of such excitations. When…
In this paper, an inverse method was developed which can, in principle, reconstruct arbitrary permeability, conductivity, thickness, and lift-off with a multi-frequency electromagnetic sensor from inductance spectroscopic measurements. The…
We characterize excited state quantum phase transitions in the two dimensional limit of the vibron model with the quantum fidelity susceptibility, comparing the obtained results with the information provided by the participation ratio. As…
In recent years, pi-conjugated polymers are attracting considerable interest in view of their light-dependent torsional reorganization around the pi-conjugated backbone, which determines peculiar light-emitting properties. Motivated by the…
The quantization of the electromagnetic sector of the Myers-Pospelov model coupled to standard fermions is studied. Our main objective is to construct an effective quantum theory that results in a genuine perturbation of QED, such that…
We propose a method to achieve amplification without population inversion by anisotropic molecules whose orientation by an external electric field is state-dependent. It is based on decoupling of the lower-state molecules from the resonant…
This paper explores the sensitivity gains afforded by spin-squeezed states in atom interferometry, in particular using Bragg diffraction. We introduce a generalised input-output formalism that accurately describes realistic, non-unitary…
A new sampling method for inverse scattering problems is proposed to process far field data of one incident wave. As the linear sampling method, the method sets up ill-posed integral equations and uses the (approximate) solutions to…
Adaptive techniques make practical many quantum measurements that would otherwise be beyond current laboratory capabilities. For example: they allow discrimination of nonorthogonal states with a probability of error equal to the Helstrom…
When molecules whose collision induced vibrational decay rates are small are probed by molecular absorption spectroscopic (MAS) techniques the absorption signal can, under certain conditions, be reduced and distorted. The reason has been…
We investigate the quality of the extrapolation procedure employed in Ref. [1] to extract the crossover line at real chemical potential from lattice data at imaginary potential. To this end we employ a functional approach that does not…
A simple one-dimensional semi-classical model with a Morse potential is used to investigate the possibility of two-color infrared multi-photon dissociation of vibrationally excited nitrogen oxide. The amplitude ratio effects and adiabatic…
We use quantum-logic spectroscopy (QLS) and interrogate rotational transitions of a single CaH+ ion with a highly coherent frequency comb, achieving a fractional statistical uncertainty for a transition line center of 4 x 10^-13. We also…
Methods for reconstructing the spectral density of a vibrational environment from experimental data can yield key insights into the impact of the environment on molecular function. Although such experimental methods exist, they generally…
We propose a method to reconstruct the vibrational quantum state of molecules excited by a general excitation laser pulse. Unlike existing methods, we do not require the molecules before excitation to be in a pure state, allowing us to…
Currently, machine learning (ML) methods are widely used to process the results of physical experiments. In some cases, due to the limited amount of experimental data, ML-models can be pre-trained on synthetic data simulated based on the…
We present a detailed theoretical analysis for the distillation of one copy of a mixed two-mode continuous-variable entangled state using beamsplitters and coherent photon-detection techniques, including conventional on-off detectors and…
The Lorentz Integral Transform approach allows microscopic calculations of electromagnetic reaction cross sections without explicit knowledge of final state wave functions. The necessary inversion of the transform has to be treated with…