Related papers: WannSymm: A symmetry analysis code for Wannier orb…
We give a simple proof of the fact that every diagonalizable operator that has a real spectrum is quasi-Hermitian and show how the metric operators associated with a quasi-Hermitian Hamiltonian are related to the symmetry generators of an…
Using systematic calculations in spinor language, we obtain simple descriptions of the second order symmetry operators for the conformal wave equation, the Dirac-Weyl equation and the Maxwell equation on a curved four dimensional Lorentzian…
We describe a semidefinite relaxation method which finds lower bounds to the ground state energy of a quantum Hamiltonian subject to Hermitian linear constraints along with approximations of ground state expectation values. We show that…
Symmetry provides a powerful machinery to classify, interpret, and understand quantum-mechanical theories and results. However, most contemporary quantum chemistry packages lack the ability to handle degeneracy and symmetry breaking…
Given the Hamiltonian, the evaluation of unitary operators has been at the heart of many quantum algorithms. Motivated by existing deterministic and random methods, we present a hybrid approach, where Hamiltonians with large amplitude are…
Rotationally invariant combinations of the Brillouin zone-center Bloch functions are used as basis function to express in cylindrical coordinates the valence-band and Kane envelope-function Hamiltonians for wurtzite and zinc-blende…
We determine what should correspond to the Dirac operator on certain quantized hermitian symmetric spaces and what its properties are. A new insight into the quantized wave operator is obtained.
We formulate Wannier orbital overlap population and Wannier orbital Hamilton population to describe the contribution of different orbitals to electron distribution and their interactions. These methods, which are analogous to the well known…
In this paper, we study weighted composition operators on Bergman spaces of analytic functions which are square integrable on polydisk. We develop the study in full generality, meaning that the corresponding weighted composition operators…
We explore the relationship between approximate symmetries of a gapped Hamiltonian and the structure of its ground space. We start by showing that approximate symmetry operators---unitary operators whose commutators with the Hamiltonian…
We introduce harmonization, an ensembling method that combines several "noisy" decoders to generate highly accurate decoding predictions. Harmonized ensembles of MWPM-based decoders achieve lower logical error rates than their individual…
We propose a scheme to restore spatial symmetry of Hamiltonian in the variational-quantum-eigensolver (VQE) algorithm for which the quantum circuit structures used usually break the Hamiltonian symmetry. The symmetry-adapted VQE scheme…
Supersymmetry transformations of first and second order are used to generate Hamiltonians with known spectra departing from the harmonic oscillator with an infinite potential barrier. It is studied also the way in which the eigenfunctions…
Within this paper we outline a method able to generate truly minimal basis sets which describe either a group of bands, a band, or even just the occupied part of a band accurately. These basis sets are the so-called NMTOs, Muffin Tin…
A quantum phase space with Wannier basis is constructed: (i) classical phase space is divided into Planck cells; (ii) a complete set of Wannier functions are constructed with the combination of Kohn's method and L\"owdin method such that…
The SternheimerGW software uses time-dependent density-functional perturbation theory to evaluate GW quasiparticle band structures and spectral functions for solids. Both the Green's function G and the screened Coulomb interaction W are…
I examine quantum mechanical Hamiltonians with partial supersymmetry, and explore two main applications. First, I analyze a theory with a logarithmic spectrum, and show how to use partial supersymmetry to reveal the underlying structure of…
Hamiltonian operators are used in the theory of integrable partial differential equations to prove the existence of infinite sequences of commuting symmetries or integrals. In this paper it is illustrated the new Reduce package \cde for…
This paper communicates recent results in theory of complex symmetric operators and shows, through two non-trivial examples, their potential usefulness in the study of Schr\"odinger operators. In particular, we propose a formula for…
A non-iterative method is presented to calculate the closest Wannier functions (CWFs) to a given set of localized guiding functions, such as atomic orbitals, hybrid atomic orbitals, and molecular orbitals, based on minimization of a…