Related papers: Complex-energy approach to sum rules within nuclea…
Superfluidity is a generic feature of various quantum systems at low temperatures and it is in particular important for the description of dynamics of low energy nuclear reactions. The time-dependent density functional theory (TDDFT) is, to…
We present a general computational protocol for the evaluation of extensive molecular response properties in complex environments within a polarizable quantum embedding framework. The approach extends multilevel density functional theory…
Properties of nuclear systems at subsaturation densities can be obtained from different approaches. We demonstrate the use of the density autocorrelation function which is related to the isothermal compressibility and, after integration, to…
A self-consistent calculation scheme for correlated electron systems is created based on the density-functional theory (DFT). Our scheme is a multi-reference DFT (MR-DFT) calculation in which the electron charge density is reproduced by an…
Within the finite-field Kohn-Sham framework, static electric response properties of diatomic molecules are presented. The electronic energy, dipole moment ({\boldmath$\mu$}), static dipole polarizability ({\boldmath$\alpha$}) and…
In this paper we study QCD and power corrections to sum rules which show up in deep inelastic lepton-hadron scattering. Furthermore we will make a distinction between fundamental sum rules which can be derived from quantum field theory and…
A density functional theory (DFT) framework is presented that links functional derivatives of free-energy functionals to non-linear static density response functions in quantum many-body systems. Within this framework, explicit expressions…
Understanding many processes, e.g. fusion experiments, planetary interiors and dwarf stars, depends strongly on microscopic physics modeling of warm dense matter (WDM) and hot dense plasma. This complex state of matter consists of a…
We derive the first two moment sum rules of the conduction electron retarded self-energy for both the Falicov-Kimball model and the Hubbard model coupled to an external spatially uniform and time-dependent electric field (this derivation…
This work presents the formalism and implementation of excited state nuclear forces within density functional linear response theory (TDDFT) using a plane wave basis set. An implicit differentiation technique is developed for computing…
We establish a set of exact sum rules that relate the interatomic force constants to the frequency-dependent electromagnetic susceptibility of a solid or molecule, thereby generalizing the long-established principles of rototranslational…
Modern density functional theory (DFT) calculations employ the Kohn-Sham (KS) system of non-interacting electrons as a reference, with all complications buried in the exchange-correlation energy (Exc). The adiabatic connection formula gives…
Magnetic-dipole (M1) excitations of $^{18}$O and $^{42}$Ca nuclei are investigated within a relativistic nuclear energy density functional framework. In our last work \cite{2019OP}, these nuclei are found to have unique M1 excitation and…
This paper presents the first implementation of a coupling between advanced wave function theories and molecular density functional theory (MDFT). This method enables the modeling of solvent effect into quantum mechanical (QM) calculations…
Reliable calculations of the structure of heavy elements are crucial to address fundamental science questions such as the origin of the elements in the universe. Applications relevant for energy production, medicine, or national security…
We investigate the adiabatic index $\Gamma_{\mathrm{th}}$ of hot and dense nuclear matter from chiral effective field theory and find that the results are systematically larger than from typical mean field models. We start by constructing…
We formulate a microscopic theory to calculate cross section of the radiative neutron capture reaction on neutron-rich nuclei using the continuum random-phase approximation (cRPA) to the time-dependent density functional theory (TDDFT).…
The LSDA+U approach to density functional theory is carefully reanalyzed. Its possible link to single-particle Green's function theory is occasionally discussed. A simple and elegant derivation of the important sum rules for the on-site…
We demonstrate the ability to calculate electromagnetic sum rules with the \textit{ab initio} symmetry-adapted no-core shell model. By implementing the Lanczos algorithm, we compute non-energy weighted, energy weighted, and inverse energy…
The development on relativistic nuclear many-body theories is reviewed. The second order self-energies of hadrons are calculated from $\hat{S}_2$ matrix, and then an effective method to solve nuclear many-body problems, sum rules on quantum…