Related papers: Density-matrix based determination of low-energy m…
Given an energy-dissipating port-Hamiltonian system, we characterise the exponential decay of the energy via the model ingredients under mild conditions on the Hamiltonian density $\mathcal{H}$. In passing, we obtain generalisations for…
The theory of correlated electron systems is formulated in a form which allows to use as a reference point an ab initio band structure theory (AIBST). The theory is constructed in two steps. As a first step the total Hamiltonian is…
We derive electronic tight-binding Hamiltonians for strained graphene, hexagonal boron nitride and transition metal dichalcogenides based on Wannier transformation of {\it ab initio} density functional theory calculations. Our microscopic…
We present a quantum electronic embedding method derived from the exact factorization approach to calculate static properties of a many-electron system. The method is exact in principle but the practical power lies in utilizing input from a…
Using ab initio thermodynamics, the stability of a wide range of hydrocarbon adsorbates under various chemical vapor deposition (CVD) conditions (temperature, methane and hydrogen pressures) used in experimental graphene growth protocols at…
An algebraic procedure to find extremal density matrices for any Hamiltonian of a qudit system is established. The extremal density matrices for pure states provide a complete description of the system, that is, the energy spectra of the…
Low-energy structure of even-even $^{108-116}$Cd isotopes is analyzed using a collective model that is based on the nuclear density functional theory. Spectroscopic properties are computed by solving the triaxial quadrupole collective…
In the theory of Bethe-ansatz integrable quantum systems, rapidities play an important role as they are used to specify many-body states, apart from phases. The physical interpretation of rapidities going back to Sutherland is that they are…
The extended Hubbard model in the zero-bandwidth limit is studied. The effective Hamiltonian consists of (i) on-site $U$ interaction and intersite (ii) density-density interaction $W$ and (iii) Ising-like magnetic exchange interaction $J$…
We consider 1D lattices described by Hubbard or Bose-Hubbard models, in the presence of periodic high-frequency perturbations, such as uniform ac force or modulation of hopping coefficients. Effective Hamiltonians for interacting particles…
In this thesis the variational optimisation of the density matrix is discussed as a method in many-body quantum mechanics. This is a relatively unknown technique in which one tries to obtain the two-particle reduced density matrix directly…
The study of ground-state properties of the Fermi-Hubbard model is a long-lasting task in the research of strongly correlated systems. Owing to the exponentially growing complexity of the system, a quantitative analysis usually demands high…
We present exact results for the periodic Anderson model for finite Hubbard interaction 0 <= U < +infinity on certain restricted domains of the model's phase diagram, in d=1 dimension. Decomposing the Hamiltonian into positive semidefinite…
Minimizing the energy of an $N$-electron system as a functional of a two-electron reduced density matrix (2-RDM), constrained by necessary $N$-representability conditions (conditions for the 2-RDM to represent an ensemble $N$-electron…
An ab initio approach formulated under an entropy-inspired repartitioning of the electronic Hamiltonian is presented. This ansatz produces orbital eigenvalues each shifted by entropic contributions expressed as subsets of scaled pair…
In quantum simulation, many-body phenomena are probed in controllable quantum systems. Recently, simulation of Bose-Hubbard Hamiltonians using cold atoms revealed previously hidden local correlations. However, fermionic many-body Hubbard…
We present one- and two-body measurements for the Hubbard model on the honeycomb (graphene) lattice from ab-initio quantum monte carlo simulations. Of particular interest is excitons, which are particle/hole excitations in low-dimensional…
We consider a linearly elastic composite medium, which consists of a homogeneous matrix containing a statistically homogeneous set of multimodal spherical inclusions modeling the morphology of heterogeneous solid propellants (HSP).…
We develop an efficient and robust approach to Hamiltonian identification for multipartite quantum systems based on the method of compressed sensing. This work demonstrates that with only O(s log(d)) experimental configurations, consisting…
This short paper summarizes a calculational method for obtaining the dynamical properties of many-body theories formulated in terms of (unrenormalized) bare propagators (and more generally, in terms of meromorphic functions, or convolutions…