Related papers: Computing observables without eigenstates: applica…
We present a basis-set-free approach to the variational quantum eigensolver using an adaptive representation of the spatial part of molecular wavefunctions. Our approach directly determines system-specific representations of qubit…
A double-atom partitioning of the molecular one-electron density matrix is used to describe atoms and bonds. All calculations are performed in Hilbert space. The concept of atomic weight functions (familiar from Hirshfeld analysis of the…
The algebra of observables for identical particles on a line is formulated starting from postulated basic commutation relations. A realization of this algebra in the Calogero model was previously known. New realizations are presented here…
The use of near-term quantum devices that lack quantum error correction, for addressing quantum chemistry and physics problems, requires hybrid quantum-classical algorithms and techniques. Here we present a process for obtaining the…
This paper is devoted to a generalisation of the quantum adiabatic theorem to a nonlinear setting. We consider a Hamiltonian operator which depends on the time variable and on a finite number of parameters and acts on a separable Hilbert…
In this work, we use quantum complexity theory to quantify the difficulty of distinguishing eigenstates obeying the Eigenstate Thermalization Hypothesis (ETH). After identifying simple operators with an algebra of low-energy observables and…
The eigenvalue of a Hamiltonian, $\mathcal{H}$, can be estimated through the phase estimation algorithm given the matrix exponential of the Hamiltonian, $exp(-i\mathcal{H})$. The difficulty of this exponentiation impedes the applications of…
A sharp definition of what "adiabatic" means is given; it is then shown that the time-dependent expectation value of a quantum-mechanical observable in the adiabatic limit can be expressed -- in many cases -- by means of the appropriate…
The goal of this paper is to review several qualitative properties of well-known eigenvalue problems using a different perspective based on the theory of effective Hamiltonians, working exclusively on the Hopf-Cole transform of the…
We show how Cauchy's Integral Formula and the ideas of Dunford's Holomorphic Functional Calculus (for unbounded operators) can be used to compute the Vacuum Characteristic Function (Quantum Fourier Transform) of quantum random variables…
We present a comprehensive study of the velocity operator, $\hat{\boldsymbol{v}}=\frac{i}{\hbar} [\hat{H},\hat{\boldsymbol{r}}]$, when used in crystalline solids calculations. The velocity operator is key to the evaluation of a number of…
Bloch-vector spaces for $N$-level systems are investigated from the spherical-coordinate point of view in order to understand their geometrical aspects. We show that the maximum radius in each direction, which is due to the construction of…
We study various statistics related to the eigenvalues and eigenfunctions of random Hamiltonians in the localized regime. Consider a random Hamiltonian at an energy $E$ in the localized phase. Assume the density of states function is not…
An arbitrarily dense discretisation of the Bloch sphere of complex Hilbert states is constructed, where points correspond to bit strings of fixed finite length. Number-theoretic properties of trigonometric functions (not part of the…
Hamiltonian models based on two different infrared approximations are studied in order to obtain an explicit comparison with the standard analysis of the infrared contributions, occurring in the relativistically covariant perturbative…
A Hamiltonian with eigenenergy \( E_n = \rho_n(1 - \rho_n) \) has been constructed, where \( \rho_n \) denotes the \( n \)-th non-trivial zero of the Riemann zeta function. To construct such a Hamiltonian, we generalize the Berry-Keating…
This paper derives master equations for an atomic two-level system for a large set of unitarily equivalent Hamiltonians without employing the rotating wave and certain Markovian approximations. Each Hamiltonian refers to physically…
We establish new analytic and numerical results on a general class of rational operator Nevanlinna functions that arise e.g. in modelling photonic crystals. The capability of these dielectric nano-structured materials to control the flow of…
Is change missing in Hamiltonian Einstein-Maxwell theory? Given the most common definition of observables (having weakly vanishing Poisson bracket with each first-class constraint), observables are constants of the motion and nonlocal.…
In this paper we consider the Bloch eigenvalues and spectrum of the non-self-adjoint differential operator L generated by the differential expression of odd order n with the periodic PT-symmetric coefficients, where n>1. We study the…