相关论文: Broken symmetry $G_0W_0$ approach for the evaluati…

We adopt a broken-symmetry strategy for evaluating effective magnetic constants $J$ within the fully self-consistent GW method. To understand the degree of spin contamination present in broken-symmetry periodic solutions, we propose several…

Broken-symmetry (BS) approaches are widely employed to evaluate Heisenberg exchange parameters, primarily in combination with DFT calculations. For many magnetic materials, BS-DFT calculations give reasonable estimations of exchange…

Exchange coupling constants ($J$) are fundamental to the understanding of spin spectra of magnetic systems. Here we investigate the broken-symmetry (BS) approaches of Noodleman and Yamaguchi in conjunction with coupled cluster (CC) methods…

The present paper deals with the use of the so-called broken symmetry method for the estimation of the Heisemberg exchange coupling constants. Tetra-nuclear model (square-H4) and chemical…

The generator coordinate method (GCM) casts the wavefunction as an integral over a weighted set of non-orthogonal single determinantal states. In principle this representation can be used like the configuration interaction (CI) or shell…

Quantum-chemical calculations aimed at deriving magnetic coupling constants in exchange-coupled spin clusters commonly utilize a broken-symmetry (BS) approach. This involves calculating several distinct collinear spin configurations,…

Few-electron systems confined in two-dimensional parabolic quantum dots at high magnetic fields are studied by the Hartree-Fock (HF) and exact diagonalization methods. A generalized multicenter Gaussian basis is proposed in the HF method. A…

The $GW$ approximation has become an important tool for predicting charged excitations of isolated molecules and condensed systems. Its popularity can be attributed to many factors, including a favorable scaling and relatively good…

The $GW$ method for calculating quasi-particle energies of solids commonly begin from a DFT Hamiltonian and Kohn-Sham orbitals in a plane wave basis. Screening of the coulomb interaction is implemented using the inverse dielectric function…

The Coleman-Weinberg (CW) renormalization scheme for renormalization-group improvement of the effective potential is particularly valuable for CW symmetry-breaking mechanisms (including the challenging case of models with multiple scalar…

The influence of the spin-orbit interactions on the energy spectrum of two-electron laterally coupled quantum dots is investigated. The effective Hamiltonian for a spin qubit pair proposed in F. Baruffa et al., Phys. Rev. Lett. 104, 126401…

We calculate the exchange coupling for a double dot system using a novel, numerically exact yet efficient technique, based on finite-element methods. Specifically, we evaluate the exchange coupling both for a quasi-one and a two-dimensional…

Although the methods and techniques have been greatly improved since the late nineteenth century, the precision on the measurement of the gravitational constant G does not exceed 1 part in 1000. Intrinsic variations of G caused by the…

The symmetry-projected Hartree--Fock ansatz for the electronic structure problem can efficiently account for static correlation in molecules, yet it is often unable to describe dynamic correlation in a balanced manner. Here, we consider a…

Wigner molecules formed at high magnetic fields in circular and elliptic quantum dots are studied by exact diagonalization (ED) and unrestricted Hartree-Fock (UHF) methods with multicenter basis of displaced lowest Landau level wave…

In this article we study the symmetry breaking phenomenon of solutions of noncooperative elliptic systems. We apply the degree for G-invariant strongly indefinite functionals to obtain simultaneously a symmetry breaking and a global…

We present a computational method to determine the exchange constants in isotropic spin models. The method uses the Hamiltonian and overlap matrices computed from density functional schemes that are based on nonorthogonal basis sets. We…

We present a controlled method for computing the exchange coupling in correlated one-dimensional electron systems based on the relation between the exchange constant and the pair-correlation function of spinless electrons. This relation is…

We calculate the production rate of gauge-boson pairs at $e^+e^-$ colliders in a model with a ``hidden'' electroweak symmetry breaking sector - i.e. one in which there are a large number of particles in the symmetry breaking sector other…

The dynamics of symmetry breaking is an important issue in many branches of physics including the real time onset of the Higgs-effect. In this thesis I examine the linear and non-linear evolution of different systems in the broken symmetric…