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Within a multi-channel formulation of $\pi\pi$ scattering, we investigate the use of the finite-volume Hamiltonian approach to resolve scattering observables from lattice QCD spectra. The asymptotic matching of the well-known L\"uscher…
Prior to the recent development of symplectic integrators, the time-stepping operator $\e^{h(A+B)}$ was routinely decomposed into a sum of products of $\e^{h A}$ and $\e^{hB}$ in the study of hyperbolic partial differential equations. In…
In this paper the Hamiltonian of quantum electrodynamics with spatial cutoffs is investigated. We define a scaled total Hamiltonian and consider its asymptotic behavior. In the main theorem, it is shown that the scaled total Hamiltonian…
A novel efficient method to calculate the scattering matrix (SM) of arbitrary tight-binding Hamiltonians is proposed, including cases with multiterminal structures. In particular, the SM of two kind of fundamental structures are given,…
This paper builds on our earlier proposal for construction of a positive inner product for pseudo-Hermitian Hamiltonians and we give several examples to clarify our method. We show through the example of the harmonic oscillator how our…
Measuring the expectation value of the molecular electronic Hamiltonian is one of the challenging parts of the variational quantum eigensolver. A widely used strategy is to express the Hamiltonian as a sum of measurable fragments using…
We present a new method for calculating electronic states in low-dimensional semiconductor heterostructures, which is based on the real-space Hamiltonian in the envelope function approximation. The numerical implementation of the method is…
In electronic structure theory, variational methods offer a valuable paradigm for approximating electronic ground states. However, for historical reasons, this principle is mostly restricted to model chemistries in pre-defined fixed basis…
Quantum computers hold promise to circumvent the limitations of conventional computing for difficult molecular problems. However, the accumulation of quantum logic errors on real devices represents a major challenge, particularly in the…
Within a formulation of $\pi\pi$ scattering, we investigate the use of the finite-volume Hamiltonian approach to resolving scattering observables from lattice QCD spectra. We consider spectra in the centre-of-mass and moving frames for both…
We present a method to extract the spectrum of two-particle systems on the lattice from wave functions computed in lattice simulations. The energies of the Hamiltonian eigenstates are extracted from the eigenvalues of a matrix, similar to a…
This work provides a rigorous and self-contained introduction to numerical methods for Hamiltonian simulation in quantum computing, with a focus on high-order product formulas for efficiently approximating the time evolution of quantum…
Solutions of generic $SU(2)\otimes SU(2)$ Hamiltonian eigensystems are obtained through systematic manipulations of quartic polynomial equations. An {\em ansatz} for constructing separable and entangled eigenstate basis, depending on the…
Hamiltonian representations based on the sum-of-squares (SOS) hierarchy provide rigorous lower bounds on ground-state energies and facilitate the design of efficient classical and quantum simulation algorithms. This work presents a unified…
The derivation of the time-dependent variational equations of the Multi-Configuration Time-Dependent Hartree (MCTDH) method for high-dimensional quantum propagation is revisited from the perspective of tangent space projection methods. In…
Quantum computation is one of the most promising new paradigms for the simulation of physical systems composed of electrons and atomic nuclei, with applications in chemistry, solid-state physics, materials science, and molecular biology.…
We present here a review of the fundamental topics of Hartree-Fock theory in Quantum Chemistry. From the molecular Hamiltonian, using and discussing the Born-Oppenheimer approximation, we arrive to the Hartree and Hartree-Fock equations for…
We present a discrete total variation calculus in Hamiltonian formalism in this paper. Using this discrete variation calculus and generating functions for the flows of Hamiltonian systems, we derive two-step symplectic-energy integrators of…
In this paper, we present a method for the Hamiltonian simulation in the context of eigenvalue estimation problems which improves earlier results dealing with Hamiltonian simulation through the truncated Taylor series. In particular, we…
The Hamiltonian operator plays a central role in quantum theory being a generator of unitary quantum dynamics. Its expectation value describes the energy of a quantum system. Typically being a non-unitary operator, the action of the…