Related papers: Superfluid LDA (SLDA): Local Density Approximation…
The Local Molecular Field Theory (LMF) developed by Weeks and co-workers has proved successful for treating the structure and thermodynamics of a variety of non-uniform liquids. By reformulating LMF in terms of one-body direct correlation…
An exchange-correlation energy functional beyond the local density approximation, based on the exchange-correlation kernel of the homogeneous electron gas and originally introduced by Kohn and Sham, is considered for electronic structure…
Ensemble Density Functional Theory (EDFT) is a generalization of ground-state Density Functional Theory (GS DFT), which is based on an exact formal theory of finite collections of a system's ground and excited states. EDFT in various forms…
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…
Density functional theory is the workhorse of modern electronic structure calculations, with wide-ranging applications in chemistry, physics, materials science, and machine learning. At its heart lies the exchange-correlation functional, a…
We develop a linear response theory to provide a unified description of two recent spectroscopy protocols for probing one-dimensional supersolid states realized in cold-atom systems. Both protocols involve applying a periodic optical…
The time-dependent local-density approximation (TDLDA) is applied to the optical response of conjugated carbon molecules in the energy range of 0-30 eV, with calculations given for carbon chains, polyenes, retinal, benzene and C_60. The…
The well-known Lagrangian of current superfluid systems is not relativistic covariant, this paper gives a general relativistic covariant Lagrangian of superfluid systems, and naturally finds the non-relativistic Lagrangian and its all…
The multiparton density matrices of the QCD gluon cascade are investigated. The generating functional and master equation for momentum space multiparton density in the double logarithmic approximation (DLA) are proposed.
Damped Lyman-alpha systems (DLAs) are useful probes of star formation and galaxy formation at high redshift. We study the physical properties of DLAs and their relationship to Lyman-break galaxies using cosmological hydrodynamic simulations…
Liquid structure at solid-liquid interfaces is critical for many natural and engineered processes ranging from biological signal transduction to electrochemical energy conversion. Advanced experimental and computational methods have…
We have recently developed a geometric formulation of the stress field for an interacting quantum system within the local density approximation (LDA) of density functional theory (DFT). We obtain a stress field which is invariant with…
The dynamic response of asymmetric nuclear matter is studied by using a Time-Dependent Local Isospin Density (TDLIDA) approximation approach. Calculations are based on a local density energy functional derived by an Auxiliary Field…
Density-corrected density functional theory (DC-DFT) is enjoying substantial success in improving semilocal DFT calculations in a wide variety of chemical problems. This paper provides the formal theoretical framework and assumptions for…
Linear-response time-dependent Density Functional Theory (LR-TDDFT) is a widely used method for accurately predicting the excited-state properties of physical systems. Previous works have attempted to accelerate LR-TDDFT using heterogeneous…
The adiabatic connection fluctuation-dissipation theorem with the random phase approximation (RPA) has recently been applied with success to obtain correlation energies of a variety of chemical and solid state systems. The main merit of…
We compare predictions from two familiar models of the metastable supercooled liquid respectively constructed with thermodynamic and dynamic approach. In the so called density functional theory (DFT) the free energy $F[\rho]$ of the liquid…
We present a first principles account of Bloch Walls on the basis of relativistic Spin-Density Functional Theory in the Local Density Approximation (LDA). We argue that calculations based on this description will provide useful and novel…
Time-dependent density-functional theory (TDDFT) is a powerful tool to study the non-equilibrium dynamics of inhomogeneous interacting many-body systems. Here we show that the simple adiabatic local-spin-density approximation for the…
Beginning from the semiclassical Hamiltonian, the Fermi pressure and Bohm potential for the quantum hydrodynamics application (QHD) at finite temperature are consistently derived in the framework of the local density approximation with the…