Related papers: Multi-hole models for deterministically placed acc…
We extend our analysis of two electrons on a sphere [Phys. Rev. A {\bf 79}, 062517 (2009); Phys. Rev. Lett. {\bf 103}, 123008 (2009)] to electrons on concentric spheres with different radii. The strengths and weaknesses of several…
Silicon quantum computing has the potential to revolutionize technology with capabilities to solve real-life problems that are computationally complex or even intractable for modern computers [1] by offering sufficient high quality qubits…
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…
We briefly review the advanced mathematical language of fiber bundle structures and how they can be used to classify two-level quantum systems based on the analysis of the topological properties of their sets of state vectors. The…
The spectral properties of electrons confined in a wire-like quasi-one-dimensional (1D) elongated quantum dot (EQD) coupler between silicon qubits, are investigated with a newly developed valley-augmented unrestricted Hartree-Fock (va-UHF)…
We introduce a generic approach to study interaction effects in diffusive or chaotic quantum dots in the Coulomb blockade regime. The randomness of the single-particle wave functions induces randomness in the two-body interaction matrix…
The ab-initio many-body method suggested in the preceding paper is applied to the 3d transition metals Fe, Co, Ni, and Cu. We use a linearized muffin-tin orbital calculation to determine Bloch functions for the Hartree one-particle…
We present a fully grid-based approach for solving Hartree-Fock and all-electron Kohn-Sham equations based on low-rank approximation of three-dimensional electron orbitals. Due to the low-rank structure the total complexity of the algorithm…
Acceptor-bound holes in oxides often localize asymmetrically at one out of several equivalent oxygen ligands. Whereas Hartree-Fock (HF) theory overly favors such symmetry-broken polaronic hole-localization in oxides, standard local density…
Higher-order topological insulators (HOTIs) have attracted much attention in photonics due to the tightly localized disorder-robust corner and hinge states. Here, we reveal an unconventional HOTI phase with vanishing dipole and quadrupole…
The structure of finite nuclei is investigated by employing an interaction model which is based on the low-momentum interaction $V_{lowk}$. It is supplemented by a density-dependent contact interaction fitted to reproduce the saturation…
An ab initio Wannier-function-based approach to electronic ground-state calculations for crystalline solids is outlined. In the framework of the linear combination of atomic orbitals method the infinite character of the solid is rigorously…
The performance of beyond mean field methods in solving the quantum many body problem for fermions is usually characterized by the correlation energy measured with respect to the underlying mean field value. In this paper we address the…
We study the boundary physics of bulk insulators by considering three coupled Hubbard chains in a linear confining potential. In the Hartree-Fock approximation, the ground state at and slightly off the particle-hole symmetric point remains…
Over the past few years one of us (Murthy) in collaboration with R. Shankar has developed an extended Hamiltonian formalism capable of describing the ground state and low energy excitations in the fractional quantum Hall regime. The…
Excitations of impurity complexes in semiconductors can not only provide a route to fill the terahertz gap in optical technologies, but can also connect local quantum bits to scale up solid-state quantum-computing devices. However, taking…
We formulate a Hartree-Fock-LAPW method for electronic band structure calculations. The method is based on the Hartree-Fock-Roothaan approach for solids with extended electron states and closed core shells where the basis functions of…
e provide a detailed analysis of a topological structure of a fermion spectrum in the Hofstadter model with different hopping integrals along the $x,y,z$-links ($t_x=t, t_y=t_z=1$), defined on a honeycomb lattice. We have shown that the…
We analyze chiral topological edge modes in a non-Hermitian variant of the 2D Dirac equation. Such modes appear at interfaces between media with different "masses" and/or signs of the "non-Hermitian charge". The existence of these edge…
State of the art computing opens now a new window to the integer quantum Hall effect (IQHE) regime, which enforces a major revision of the common knowledge accumulated so far. In our record-breaking application of the Hartree-Fock method we…