Related papers: Second order kinetic Kohn-Sham lattice model
Predictivity of the Kohn-Sham approach to dynamical problems, when regarded as an initial value problem in a time-dependent density functional framework, is analysed for a class of models for which the argument devised in the work of Maitra…
In this talk I describe work on computing non-leptonic matrix elements consistently with both long and short distance contributions included. On the simpler example of the $\pi^+$-$\pi^0$ mass difference I explain in detail the matching…
Using Hubbard-Stratonovich transformation and drone-fermion representations for spin-1/2 and for spin-3/2, which is presented for the first time, we make a path-integral formulation of the Kondo lattice model. In the case of weak coupling…
Kohn-Sham (KS) formalism of Density Functional Theory is modified to include the systems with strong non-dynamic electron correlation. Unlike in extended KS and broken symmetry unrestricted KS formalisms, cases of both singlet-triplet and…
The Kondo lattice model plays a key role in our understanding of quantum materials, but a lack of small parameters has posed a long-standing problem. We present a 3 dimensional S= 1/2 Kondo lattice model describing a spin liquid within an…
A complete solution to the inverse problem of Kohn-Sham (KS) density functional theory is proposed. Our method consists of two steps. First, the effective KS potential is determined from the ground state density of a given system. Then, the…
We present the results of a first-principles theoretical study of the inclusive semileptonic decays of the $D_{s}$ meson. We performed a state-of-the-art lattice QCD calculation by taking into account all sources of systematic errors. A…
Scalar relativistic corrections to atomization energies of 1st-and 2nd-row molecules can be rationalized in terms of a simple additive model, linear in changes in atomic s populations. In a sample of 200 first-and second-row molecules, such…
By introducing a set of auxiliary equations representing a many-body system, we have derived an extension of the Kohn-Sham scheme for the density functional theory. These equations consist of a Kohn-Sham-type equation determining…
We study the long-time behavior of the (critical) Kohn--Sham equation in two and three dimensions, i.e.,\[ \mathrm{i} \partial_t {\gamma} = \Big[-\frac{1}{2}\Delta + \lambda \, |\cdot|^{-1} \ast \rho_{{\gamma}} + \mu \,…
A simple phenomenological real-space renormalization group method for quantum Heisenberg spins with nearest and next nearest neighbour interactions on a pyrochlore lattice is presented. Assuming a scaling law for the order parameter of two…
Including prior knowledge is important for effective machine learning models in physics, and is usually achieved by explicitly adding loss terms or constraints on model architectures. Prior knowledge embedded in the physics computation…
Here, we propose a platform based on ultra-cold fermionic molecules trapped in optical lattices to simulate nonadiabatic effects, as they appear in certain molecular dynamical problems. The idea consists of a judicious choice of two…
The existing discrete variational derivative method is only second-order accurate and fully implicit. In this paper, we propose a framework to construct an arbitrary high-order implicit (original) energy stable scheme and a second-order…
We consider the Einstein equation with first order (semiclassical) quantum corrections. Although the quantum corrections contain up to fourth order derivatives of the metric, the solutions which are physically relevant satisfy a reduced…
We demonstrate a convolutional neural network trained to reproduce the Kohn-Sham kinetic energy of hydrocarbons from electron density. The output of the network is used as a non-local correction to the conventional local and semi-local…
Dyson orbitals play an important role in understanding quasi-particle effects in the correlated ground state of a many-particle system and are relevant for describing the Compton scattering cross section beyond the frameworks of the impulse…
We present a numerical scheme for solving a sixth-order Cahn-Hilliard type equation that captures the dynamics of phase transitions in a ternary mixture consisting of two immiscible fluids and a surface active molecule that is amphiphilic.…
A lattice Boltzmann (LB) scheme is described which recovers the equations developed by Qian--Sheng for the hydrodynamics of a nematic liquid crystal with a tensor order parameter. The standard mesoscopic LB scalar density is generalised to…
Periodic Anderson model (PAM), where local electron orbitals interplay with itinerant electronic carriers, plays an essential role in our understanding on heavy fermion materials. Motivated by recent proposal of simulating Kondo lattice…