相关论文: Electromagnetic transition rates of Carbon-12 and …
We have employed equation-of-motion coupled-cluster (EOM-CC) method in the four-component relativistic theory framework to understand roles of electron correlation effects in the $\textit{ab initio}$ estimations of electric dipole…
Mercury (Hg) and superheavy element copernicium (Cn) are investigated using equation-of-motion relativistic coupled-cluster (EOM-RCC) and configuration interaction plus many-body perturbation theory (CI+MBPT) methods. Key atomic properties…
In the present work, we report a detailed description of the symmetry properties of the eight-atomic molecule ethane, with the aim of facilitating the variational calculations of rotation-vibration spectra of ethane and related molecules.…
Multidimensional spectroscopy unveils the interplay of nuclear and electronic dynamics, which characterizes the ultrafast dynamics of various molecular and solid-state systems. In a class of models widely used for the simulation of such…
Two different ab initio potential energy surfaces are employed to investigate the efficiency of the rotational excitation channels for the polar molecular ion HeH$^+$ interacting with He atoms. We further use them to investigate the quantum…
We study the coupled rotation-vibration levels of a hydrogen molecule in a confining potential with cylindrical symmetry. We include the coupling between rotations and translations and show how this interaction is essential to obtain the…
A widely used relativistic Fermi gas model and plane-wave impulse approximation are tested against electron-nucleus scattering data. Inclusive quasi-elastic cross section are calculated and compared with high-precision data for C, O, and…
Quantum rate theory encompasses the electron-transfer rate constant concept of electrochemical reactions as a particular setting, besides demonstrating that the electrodynamics of these reactions obey relativistic quantum mechanical rules.…
Large-scale cosmological simulations of galaxy formation currently do not resolve the densities at which molecular hydrogen forms, implying that the atomic-to-molecular transition must be modeled either on the fly or in postprocessing. We…
We investigate how vibration affects molecular photoemission dynamics, through simulations on two-dimension asymmetric model molecules including the electronic and nuclear motions in a fully correlated way. We show that a slight anisotropy…
We calculate electromagnetic form factors of the proton bound in specified orbits for several closed shell nuclei. The quark structure of the nucleon and the shell structure of the finite nuclei are given by the QMC model. We find that…
Electron scattering is a tool that can provide relatively clean view of the nuclear structure in both ground and excited states, as it depends on the well-known electromagnetic interaction. But since the common expressions for its cross…
The structural evolution of laser-excited systems of gold has previously been measured through ultrafast MeV electron diffraction. However, there has been a long-standing inability of atomistic simulations to provide a consistent picture of…
Electromagnetic cascades attract a lot of attention as an important QED effect that will reveal itself in various electromagnetic field configurations at ultrahigh intensities. We study cascade dynamics in rotating electric field…
We investigate theoretically the stochastic dynamics of Resonance Electronic Energy Transfer (RET), in a bi-dimensional overexcited ensemble of donor and acceptor molecules. We find that, after initial optical excitation of all the donors,…
This is a contribution to the review 50 Years of Quantum Chromodynamics edited by F. Gross and E. Klempt, to be published in Journal EPJC. This contribution reviews the nucleon resonance transition form factors determined from meson…
A variational solution to the rovibrational problem in curvilinear vibrational coordinates has been implemented and used to investigate the nuclear motions in several linear triatomic molecules, like HCN, OCS, and HCP. The dependence of the…
This work describes the formalism for estimating thermonuclear reaction rates for astrophysical applications, emphasizing modern statistical approaches such as Monte-Carlo sampling and Bayesian models. We discuss related topics including…
The dynamical responses of ferromagnet to the propagating electromagnetic field wave passing through it are modelled and studied here by Monte Carlo simulation in two dimensional Ising ferromagnet. Here, the electromagnetic wave is linearly…
The application of molecular dynamics (MD) simulations to the interpretation of Raman scattering spectra is hindered by inability of atomistic simulations to account for the dynamic evolution of electronic polarizability, requiring the use…