Related papers: Positivity Preserving Density Matrix Minimization …
Many applications of quantum simulation require to prepare and then characterize quantum states by performing an efficient partial tomography to estimate observables corresponding to $k$-body reduced density matrices ($k$-RDMs). For…
We develop an optimization-based algorithm for parametric model order reduction (PMOR) of linear time-invariant dynamical systems. Our method aims at minimizing the $\mathcal{H}_\infty \otimes \mathcal{L}_\infty$ approximation error in the…
In order to obtain a reasonably accurate and easily implemented approach to many-electron calculations, we will develop a new Density Functional Theory (DFT). Specifically, we derive an approximation to electron density, the first term of…
We give graphical rules, based on earlier work for the functional Schrodinger equation, for constructing the density matrix for scalar and gauge fields at finite temperature T. More useful is a dimensionally-reduced effective action (DREA)…
The ground state energy of a many-electron system can be approximated by an variational approach in which the total energy of the system is minimized with respect to one and two-body reduced density matrices (RDM) instead of many-electron…
Using the Wentzel-Kramers-Brillouin method, we derive a modified form of the Thomas-Fermi approximation to electron density. This new result enables us to calculate the details of the self-consistent ion cores, as well as the ionization…
The efficient optimization of actuated soft structures, particularly under complex nonlinear forces, remains a critical challenge in advancing robotics. Simulations of nonlinear structures, such as soft-bodied robots modeled using the…
We investigate finite temperature properties in the half-filled three-component (colors) fermion systems. It is clarified that a color density-wave (CDW) state is more stable than a color-selective "antiferromagnetic" (CSAF) state against…
We have measured independently both s-wave and p-wave cross-dimensional thermalization rates for ultracold potassium-40 atoms held in a magnetic trap. These measurements reveal that this fermionic isotope has a large positive s-wave triplet…
The complete phase diagram of Random Energy Model (REM) is obtained for complex temperatures using the method proposed by Derrida. We find the density of zeroes for statistical sum. Then the method is applied to Generalized Random Energy…
For the linear sigma model with quarks we derive renormalization group flow equations for finite temperature and finite baryon density using the heat kernel cutoff. At zero temperature we evolve the effective potential to the Fermi momentum…
We show that the von Neumann's algorithm of reduction (i.e. the algorithm of calculating the density matrix of the observable subsystem from the density matrix of the closed quantum system) corresponds to the special approximation at which…
In the conventional theory of density wave ordering in metals, the onset of spin density wave (SDW) order co-incides with the reconstruction of the Fermi surfaces into small 'pockets'. We present models which display this transition, while…
Since electronic and magnetic properties of many transition-metal oxides can be efficiently controlled by external factors such as the temperature, pressure, electric or magnetic field, they are regarded as promising materials for various…
We construct a finite element discretization and time-stepping scheme for the incompressible Euler equations with variable density that exactly preserves total mass, total squared density, total energy, and pointwise incompressibility. The…
We describe recent progress in developing practical ab initio methods for which the computer effort is proportional to the number of atoms: linear scaling or O(N) methods. It is shown that the locality property of the density matrix gives a…
In this article, we examine different approaches for calculating low frequency opacities in the warm dense matter regime. The relevance of the average-atom approximation and of different models for calculating opacities, such as the Ziman…
Orbital-free density functional theory (OF-DFT) provides an alternative approach for calculating the molecular electronic energy, relying solely on the electron density. In OF-DFT, both the ground-state density is optimized variationally to…
For a given diagrammatic approximation in many-body perturbation theory it is not guaranteed that positive observables, such as the density or the spectral function, retain their positivity. For zero-temperature systems we developed a…
Resonant tunneling through quantum dot under a finite bias voltage at zero temperature is investigated by using the adaptive time-dependent density matrix renormalization group(TdDMRG) method. Quantum dot is modeled by the Anderson…