Related papers: Relativistic time-dependent configuration-interact…
Large-scale relativistic configuration-interaction calculation of energy levels of core-excited states of lithium-like ions is presented. Quantum electrodynamic, nuclear recoil, and frequency-dependent Breit corrections are included in the…
We present a novel theoretical scheme for orbital relaxation in configuration interaction singles (CIS) based on a perturbative treatment of its electronic Hessian, whose analytical derivation is also established in this work. The proposed…
Roles of electron correlation effects in the determination of attachment energies, magnetic dipole hyperfine structure constants and electric dipole (E1) matrix elements of the low-lying states in the singly charged cadmium ion (Cd$^+$)…
We present the first fully ab initio calculations for attosecond transient absorption spectroscopy of atomic krypton with overlapping pump and probe pulses. Within the time-dependent configuration interaction singles (TDCIS) approach, we…
The multiconfiguration Dirac-Hartree-Fock (MCDHF) and relativistic configuration interaction (RCI) methods are used to provide excitation energies, radiative transition data, lifetimes, Lande g-factors, hyperfine interaction constants and…
A class of phenomenological relativistic models of hadronic systems motivated by QCD that have dual representations as models of mesons and nucleons or quarks and gluons is investigated. These models are designed to provided qualitative…
Relativistic energy-density functional (REDF) theory has been developed and utilized for self-consistent meanfield calculations of atomic nuclei. The proton-emitting radioactivity can provide a suitable reference to improve the predicting…
We report the implementation of equation-of-motion coupled-cluster (EOMCC) method in the four-component relativistic framework with the spherical atomic potential to generate the excited states from a closed-shell atomic configuration. This…
X-Ray transition energies and isotope shifts in heavy atoms are evaluated. The energy levels with vacancies in the inner shells are calculated within the approximation of the average of nonrelativistic configuration employing the…
We present the time-dependent restricted-active-space self-consistent field (TD-RASSCF) theory as a new framework for the time-dependent many-electron problem. The theory generalizes the multiconfigurational time-dependent Hartree-Fock…
Neutral uranium (U I) is a very difficult atom for theoretical calculations due to a large number of valence electrons, six, strong valence-valence and valence-core correlations, high density of states, and relativistic effects.…
An efficient perturbational treatment of spin-orbit coupling within the framework of high-level multi-reference techniques has been implemented in the most recent version of the COLUMBUS quantum chemistry package, extending the existing…
We present a grid-based implementation of the time-dependent configuration-interaction singles method suitable for computing the strong-field ionization of small gas-phase molecules. After outlining the general equations of motion used in…
We present a relativistic constituent quark model to analyze the mass spectrum and hadronic properties of radially excited u and d quark sector mesons. Using a simple Gaussian function as a trial wave function for the variational principle…
We introduce the time-dependent restricted active space Configuration Interaction method to solve the time-dependent Schr\"odinger equation for many-electron atoms, and particularly apply it to the treatment of photoionization processes in…
An extension of the relativistic density functional approach to the equation of state for strongly interacting matter is suggested which generalizes a recently developed modified excluded-volume mechanism to the case of temperature and…
Rydberg atoms trapped by optical tweezers have emerged as a versatile platform to emulate lattices with different geometries, in which long-range interacting spins lead to fascinating phenomena, ranging from spin liquids to topological…
The near-exact iCIPT2 approach for strongly correlated systems of electrons, which stems from the combination of iterative configuration interaction (iCI, an exact solver of full CI) with configuration selection for static correlation and…
High-energy collisions of heavy ions provide a means to study QCD in a regime of high parton density, and may provide insight into its phase structure. Results from the four experiments at RHIC (BRAHMS, PHENIX, PHOBOS and STAR) are…
Relativistic energy shifts of the low energy levels of Fe have been calculated using the Dirac-Hartree-Fock and configuration interaction techniques. The results are to be used in the search for the space-time variation of the fine…