Related papers: Time-dependent Gutzwiller approximation for the Hu…
We introduce a hybrid high-order method for approximating the ground state of the nonlinear Gross--Pitaevskii eigenvalue problem. Optimal convergence rates are proved for the ground state approximation, as well as for the associated…
The generalization of the Gutzwiller approximation to inhomogeneous systems is considered, with extra spin-and-site-dependent fugacity factors included. It is found that the inclusion of fugacity factors reconciles the seemingly…
Accurate modeling of conical intersections is crucial in nonadiabatic molecular dynamics, as these features govern processes such as radiationless transitions and photochemical reactions. Conventional electronic structure methods, including…
We study stripes in cuprates within the one-band and the three-band Hubbard model. Magnetic and charge excitations are described within the time-dependent Gutzwiller approximation. A variety of experiments (charge profile from resonant soft…
We present an optimized random phase approximation method (optRPA26) that significantly improves upon conventional RPA. The method employs an empirically constructed hybrid functional to generate DFT orbitals to evaluate the RPA correlation…
We present a Gutzwiller von Neumann dynamics (GvND) method for simulating equilibrium and nonequilibrium phenomena in strongly correlated electron systems. Our approach is a real-space formulation of the time-dependent Gutzwiller…
Practical applications of fragment embedding and closely related local correlation methods critically depend on a judicious choice of a low-level theory to define the local embedding subspace and to capture long-range electrostatic and…
The Hubbard model is a challenging quantum many-body problem and serves as a benchmark for quantum computing research. Accurate computation of its ground and excited state energies is essential for understanding correlated electron systems.…
While the no-core shell model is a state-of-the-art microscopic approach to low-energy nuclear structure, its intense computational requirements lead us to consider time-honored approximations such as the Hartree-Fock (HF) approximation and…
A new Quasiparticle Random Phase Approximation approach is presented. The corresponding ground state is variationally determined and exhibits a minimum energy. New solutions for the ground state, some with spontaneously broken symmetry, of…
In this thesis are shown developments in the random phase approximation (RPA) in the context of range-separated theories. We present advances in the formalism of the RPA in general, and particularly in the "dielectric matrix" formulation of…
The one-dimensional Hubbard model with different on-site interactions is investigated by renormalization group technique. In the case of a 1/4-filled band the dynamical nonequivalence of sites leads to the appearance of Umklapp processes in…
The random phase approximation (RPA) has received a considerable interest in the field of modeling systems where noncovalent interactions are important. Its advantages over widely used density functional theory (DFT) approximations are the…
A novel effective Hamiltonian in the subspace of singly occupied states is obtained by applying the Gutzwiller projection approach to a generalized Hubbard model with the interactions between two nearest- neighbor sites. This model provides…
We generalize the linear discrete dimensional scaling approach for the repulsive Hubbard model to obtain a nonlinear scaling relation that yields accurate approximations to the ground-state energy in both two and three dimensions, as judged…
We demonstrate that ground state energies approaching chemical accuracy can be obtained by combining the adiabatic connection fluctuation-dissipation theorem (ACFDT) with time-dependent density functional theory (TDDFT). The key ingredient…
The particle-particle random phase approximation (pp-RPA) has been shown to be capable of describing double, Rydberg, and charge transfer excitations, for which the conventional time-dependent density functional theory (TDDFT) might not be…
We consider the estimation of large covariance and precision matrices from high-dimensional sub-Gaussian or heavier-tailed observations with slowly decaying temporal dependence. The temporal dependence is allowed to be long-range so with…
We introduce the parafermionic truncated Wigner approximation ($p$TWA), a semiclassical phase-space framework for simulating the nonequilibrium dynamics of lattice systems with fractional exchange statistics. The method extends truncated…
We study Kuramoto phase oscillators with temporal fluctuations in the frequencies. The infinite-dimensional system can be reduced in a Gaussian approximation to two first-order differential equations. This yields a solution for the…