Related papers: Relativistic time-dependent configuration-interact…
The article deals with the extension of the relativistic double-ionization equation-of-motion coupled-cluster (DI-EOMCC) method [H. Pathak et al. Phys. Rev. A 90, 010501(R) (2014)] for the molecular systems. The Dirac-Coulomb (DC)…
We present a time-dependent approach to the one-zone hadronic model in the case where the photon spectrum is produced by ultrarelativistic protons interacting with soft photons that are produced from protons and low magnetic fields.…
We derive a time-dependent density functional theory appropriate for calculating the near-edge X-ray absorption spectrum in molecules and condensed matter. The basic assumption is to increase the space of many-body wave functions from one…
We investigate the Dirac time-dependent variational method using a Gaussian trial functional for an infinite one dimensional system of Bosons interacting through a repulsive contact interaction. The method produces a set of non-linear time…
Relativistic Hartree-Fock method together with many-body perturbation theory and configuration interaction techniques are used to calculate relativistic energy shifts for frequencies of the strong electric dipole transitions of C III, C IV,…
We construct a tridiagonal matrix representation for the three dimensions Dirac-Coulomb Hamiltonian that provides for a simple and straightforward relativistic extension of the complex scaling method. Besides the Coulomb interaction,…
Dilepton production in heavy-ion collisions at collider energies - i.e., for the Relativistic Heavy-Ion Collider (RHIC) and the Large Hadron Collider (LHC) - is studied within an approach that uses coarse-grained transport simulations to…
We report an approach for determination of zero-field splitting parameters from four-component relativistic calculations. Our approach involves neither perturbative treatment of spin-orbit interaction nor truncation of the spin-orbit…
Linear-response time-dependent density-functional theory (TDDFT) can describe excitonic features in the optical spectra of insulators and semiconductors, using exchange-correlation (xc) kernels behaving as $-1/k^{2}$ to leading order. We…
The spectroscopic properties of Li atom and Li-like Ca and Ti ions in the plasma environment are investigated using a relativistic coupled-cluster (RCC) method. Assuming the plasma is of low density and very hot, we consider the Debye model…
Spectroscopic properties that characterize the shape phase transitions in krypton isotopes with the mass $A\approx80$ region are investigated within the framework of the nuclear density functional theory. Triaxial quadrupole constrained…
Favorably scaling numerical time-dependent many-electron techniques such as time-dependent density functional theory (TDDFT) with adiabatic exchange-correlation potentials typically fail in capturing highly correlated electron dynamics. We…
We consider the time-dependent resonance interaction energy between two identical atoms, one in the ground state and the other in an excited state, and interacting with the vacuum electromagnetic field, during a nonequilibrium situation…
Core-level spectra of 1s electrons of elements heavier than Ne show significant relativistic effects. We combine advances in orbital optimized DFT (OO-DFT) with the spin-free exact two-component (X2C) model for scalar relativistic effects,…
Recent experimental results obtained at the Relativistic Heavy-Ion Collider (RHIC) will be discussed. Investigations of different nucleus-nucleus collisions in recent years focus on two main tasks, namely, the detailed study of sQGP…
We present the fully general time-dependent multiconfiguration self-consistent-field method to describe the dynamics of a system consisting of arbitrary different kinds and numbers of interacting fermions and bosons. The total wave function…
Within the framework of quantization of the macroscopic electromagnetic field, a master equation describing both the resonant dipole-dipole interaction (RDDI) and the resonant atom-field interaction (RAFI) in the presence of dispersing and…
L-edge X-ray absorption spectra for first-row transition metal complexes are obtained from relativistic equation-of-motion singles and doubles coupled-cluster (EOM-CCSD) calculations that make use of the core-valence separation (CVS)…
Excitonic effects in the optical absorption spectra of solids can be described with time-dependent density-functional theory (TDDFT) in the linear-response regime, using a simple class of approximate, long-range corrected (LRC)…
We present a new high-performance configuration interaction code optimally designed for the calculation of the lowest energy eigenstates of a few electrons in semiconductor quantum dots (also called artificial atoms) in the strong…