Related papers: Time-dependent Dirac equation applied to one-proto…
In this paper, the tunnelling of a particle through a potential barrier is investigated in the presence of a time-dependent perturbation. The latter is attributed to the process of the energy measurement of the scattered particle. The…
We consider particles emanating from a source point inside an interval in one-dimensional space and passing through detectors situated at the endpoints of the interval that register their arrival time. Unambiguous measurements of arrival or…
Electron-positron interactions have been utilized in various fields of science. Here we develop time-dependent multi-component density functional theory to study the coupled electron-positron dynamics from first principles. We prove that…
Density functional theory (DFT) and linear-response time-dependent density functional theory (LR-TDDFT) rely on an exchange-correlation (xc) approximation that provides not only energy but also its functional derivatives that enter the…
A single-step Eriksen transformation of~$1S_{1/2}$,~$2P_{1/2}$ and~$2P_{3/2}$ states of the relativistic hydrogen-like atom is performed exactly by expressing each transformed function (TF) as a linear combination of eigenstates of the…
We employed first-principles density-functional theory (DFT) calculations to characterize Dirac electrons in quasi-two-dimensional molecular conductor $\alpha$-(BETS)$_2$I$_3$ [= $\alpha$-(BEDT-TSeF)$_2$I$_3$] at a low temperature of 30K.…
A computational method is proposed to calculate bound and resonant states by solving the Klein-Gordon and Dirac equations for real and complex energies, respectively. The method is an extension of a non-relativistic one, where the potential…
This paper is devoted to a study of relativistic eigenstates of Dirac particles which are simultaneously bound by a static Coulomb potential and added linear confining potentials. It has recently been shown that, despite the addition of…
We have calculated the frequency-dependent exact exchange (EXX) kernel of time-dependent (TD) density functional theory employing our recently proposed computational method based on cubic splines. With this kernel we have calculated the…
Real-time time-dependent density functional theory (rt-TDDFT) is a well-established method for studying the dynamic response of matter in the femtosecond or optical range. In this method, the Kohn-Sham (KS) wave functions are propagated…
Dirac electrons in a single-component molecular conductor [Pd(dddt)$_2$] under pressure have been examined using a tight-binding model which consists of HOMO (Highest Occupied Molecular Orbital) and LUMO (Lowest Unoccupied Molecular…
X-ray Thomson scattering (XRTS) constitutes an essential technique for diagnosing material properties under extreme conditions, such as high pressures and intense laser heating. Time-dependent density functional theory (TDDFT) is one of the…
We present results of our computation of the topological susceptibility with $N_f=2$ and $N_f=2+1+1$ flavours of maximally twisted mass fermions, using the method of spectral projectors. We perform a detailed study of the quark mass…
In this work, we systematically study the two-proton($2p$) radioactivity half-lives using the two-potential approach while the nuclear potential is obtained by using Skyrme-Hartree-Fock approach with the Skyrme effective interaction of…
Recently Beccattini and Cleymamns have proposed a model to understand the p-pbar data obtained at RHIC and SPS. We have shown that this model has a much greater applicability and can very well be used to describe the rapidity spectra of…
Optical properties of symmetry-forbidden pi-pi transitions in benzene are calculated with the time-dependent density functional theory (TDDFT), using an adiabatic LDA functional. Quantities calculated are the envelopes of the Franck-Condon…
We decipher the microscopic mechanism of the formation of tilt in the two-dimensional Dirac cone of $8Pmmn$ borphene. In our ab-initio calculations, we identify relevant low-energy degrees of freedom on the $8Pmmn$ lattice and find that…
Superadiabatic dynamical density functional theory (superadiabatic-DDFT), a first-principles approach based on the inhomogeneous two-body correlation functions, is employed to investigate the response of interacting Brownian particles to…
To address the impact of electron correlations in the linear and non-linear response regimes of interacting many-electron systems exposed to time-dependent external fields, we study one-dimensional (1D) systems where the interacting problem…
Time-dependent orbital-free DFT is an efficient method for calculating the dynamic properties of large scale quantum systems due to the low computational cost compared to standard time-dependent DFT. We formalize this method by mapping the…