Related papers: Twisted Pseudodifferential Calculus and Applicatio…
In a series of papers we have argued that the 'basic' physical procedure of minimal coupling giving the quantum description of a Hamiltonian system interacting with a magnetic field, can be given a very satisfactory mathematical formulation…
Quantum chemistry has been viewed as one of the potential early applications of quantum computing. Two techniques have been proposed for electronic structure calculations: (i) the variational quantum eigensolver and (ii) the…
We introduce and study a new class of pseudo-differential operators associated with a fractional Hankel--Bessel transform. Motivated by the classical Hankel transform and the pseudo-differential operators associated with Bessel operators…
We extend projectively equivariant quantization and symbol calculus to symbols of pseudo-differential operators. An explicit expression in terms of hypergeometric functions with noncommutative arguments is given. Some examples are worked…
The complex-scaling method can be used to calculate molecular resonances within the Born-Oppenheimer approximation, assuming the electronic coordinates are dilated independently of the nuclear coordinates. With this method, one will…
We propose and simulate a protocol to evolve a quantum particle forward in time such that its trajectory closely matches that of the particle's Newtonian counterpart. Using short bursts of Schr\"odinger time-evolution interleaved with…
We analyze the method for calculation of properties of non-relativistic quantum systems based on exact diagonalization of space-discretized short-time evolution operators. In this paper we present a detailed analysis of the errors…
In this paper, we present first results of our investigation regarding symbolic pseudo-differential calculi on nilpotent Lie groups. On any graded Lie group, we define classes of symbols using difference operators. The operators are…
Bilinear pseudodifferential operators with symbols in the bilinear analog of all the H\"ormander classes are considered and the possibility of a symbolic calculus for the transposes of the operators in such classes is investigated. Precise…
We discuss a method to follow step-by-step time evolution of atomic and molecular systems based on QED (Quantum Electrodynamics). Our strategy includes expanding the electron field operator by localized wavepackets to define creation and…
We apply Shubin's theory of global symbol classes $\Gamma_{\rho}^{m}$ to the Born-Jordan pseudodifferential calculus we have previously developed. This approach has many conceptual advantages, and makes the relationship between the…
We introduce a hybrid classical-quantum algorithm to compute dynamical correlation functions and excitation spectra in many-body quantum systems, with a focus on molecular systems. The method combines classical preparation of a perturbed…
We demonstrate how to discriminate two non-orthogonal, entangled quantum state which are slightly different from each other by using pseudo-Hermitian system. The positive definite metric operator which makes the pseudo-Hermitian systems…
In this note we present a symbolic pseudo-differential calculus on the Heisenberg group. We particularise to this group our general construction [4,3,2] of pseudo-differential calculi on graded groups. The relation between the Weyl…
The trace of an arbitrary product of quantum operators with the density operator is rendered as a multiple phase space integral of the product of their Weyl symbols with the Wigner function. Interspersing the factors with various evolution…
A generalization of differential operators are pseudodifferential operators which are used for reasoning about partial differential equations with variable coefficients. A lot of useful properties about classical pseudodifferential…
We develop a singular pseudodifferential calculus. The symbols that we consider do not satisfy the standard decay with respect to the frequency variables. We thus adopt a strategy based on the Calderon-Vaillancourt Theorem. The remainders…
In this work, we present a quantum algorithm for direct first-principles simulation of electron-nuclear dynamics on a first-quantized real-space grid. Our algorithm achieves best-in-class efficiency for block-encoding the…
Computing many eigenpairs of the Schr{\"o}dinger operator presents a computational bottleneck in large-scale quantum simulations due to the global communication overhead of explicit orthogonalization. To address this issue, we propose a…
Covariant integral quantisation using coherent states for semidirect product groups is studied and applied to the motion of a particle on the circle. In the present case the group is the Euclidean group E$(2)$. We implement the quantisation…