Related papers: Multi-hole models for deterministically placed acc…
We apply the Hulth\`en-Kohn method suggested by V. D. Efros [Phys. Rev. C 99, 034620 (2019)] for calculating various observables in the continuum and discrete spectrum using two-body interactions in single- and coupled-channel systems. This…
The multiconfiguration time-dependent Hartree-Fock (MCTDHF) method is formulated for treating the coupled electronic and nuclear dynamics of diatomic molecules without the Born- Oppenheimer approximation. The method treats the full…
Two-dimensional higher-order topology is usually studied in (nearly) particle-hole symmetric models, so that an edge gap can be opened within the bulk one. But more often deviates the edge anticrossing even into the bulk, where corner…
The transition line of superconducting arrays of holes exhibits a rich field structure due to the interference of superconducting states nucleated at the holes edges. We studied by means of resistance measurements their effect on the T*c(H)…
It is shown that four-component (4C), quasi-four-component (Q4C), and exact two-component (X2C) relativistic Hartree-Fock (HF) equations can be implemented in an unified manner, by making use of the atomic nature of the small components of…
In this paper, we discuss the topological and transport properties of binary heterostructures of different topological materials. Using the Su-Schrieffer-Heeger model and the method of Green's functions, we calculate and characterize the…
The electronic states in a corner-overgrown bent GaAs/AlGaAs quantum well heterostructure are studied with numerical Hartree simulations. Transmission electron microscope pictures of the junction justify the sharp-corner assumption. In a…
We study the entanglement spectrum (ES) of two-dimensional $C_{n}$-symmetric second-order topological insulators (TIs). We show that some characteristic higher order topological observables, e.g., the filling anomaly and its associated…
We report on the theoretical electronic spectra of twisted phosphorene bilayers exhibiting moir\'e patterns, as computed by means of a continuous approximation to the moir\'e superlattice Hamiltonian. Our model is constructed by…
The exploration of topological phases remains a cutting-edge research frontier, driven by their promising potential for next-generation electronic and quantum technologies. In this work, we employ first-principles calculations and…
Correlated {\em ab initio} electronic structure calculations are reported for the polymers lithium hydride chain $[LiH]_{\infty}$ and beryllium hydride $[Be_{2}H_{4}]_{\infty}$. First, employing a Wannier-function-based approach, the…
The tunneling process, a prototypical phenomenon of nonperturbative dynamics, is a natural consequence of photocarrier generation in materials irradiated by a strong laser. Common treatments for Zener tunneling are based on a one-body…
We construct a family of chiral symmetry-protected third-order topological insulators by stacking Su-Schrieffer-Heeger (SSH) chains and provide a unified topological characterization by a series of Bott indices. Our approach is informed by…
Motivated by the recent twisted MoTe$_2$ experiment [arXiv:2601.18508], we develop a disordered interacting edge theory of a fractional topological insulator at $\nu_{\text{tot}}=4/3$, consisting of two time-reversal-conjugated $\nu=2/3$…
Recent work from our research group has demonstrated that symmetry-projected Hartree--Fock (HF) methods provide a compact representation of molecular ground state wavefunctions based on a superposition of non-orthogonal Slater determinants.…
We present exact explicit analytical results describing the exact ground state of four electrons in a two dimensional square Hubbard cluster containing 16 sites taken with periodic boundary conditions. The presented procedure, which works…
We assess the utility of Hartree-Fock (HF) trial wavefunctions in performing phaseless auxiliary-field quantum Monte Carlo (ph-AFQMC) on the uniform electron gas (UEG) model. The combination of ph-AFQMC with spin-restricted HF…
Electronic and nuclear spins of shallow donors in Silicon are attractive candidates for qubits in quantum computer proposals. Shallow donor exchange gates are frequently invoked to preform two-qubit operations in such proposals. We study…
This paper presents methodology for the computation of whole sets of heteroclinic connections between iso-energetic slices of center manifolds of center x center x saddle fixed points of autonomous Hamiltonian systems. It involves: (a)…
Given a microscopic lattice Hamiltonian for a topologically ordered phase, we describe a tensor network approach to characterize its emergent anyon model and, in a chiral phase, also its gapless edge theory. First, a tensor network…