相关论文: Compact sum-of-products form of the molecular elec…
We provide a new canonical approach for studying the quantum mechanical damped harmonic oscillator based on the doubling of degrees of freedom approach. Explicit expressions for Lagrangians of the elementary modes of the problem,…
Generic Hamiltonian systems have a mixed phase space, where classically disjoint regions of regular and chaotic motion coexist. We present an iterative method to construct an integrable approximation, which resembles the regular dynamics of…
We propose a method to solve the electronic Schr\"odinger equation for strongly correlated systems by applying a unitary transformation to reduce the complexity of the physical Hamiltonian. In particular, we seek a transformation that maps…
A novel approach to the modelling and simulation of the industrial compaction process of ceramic powders is proposed, based on a combination of: (i) continuum mechanics modelling of the constitutive response of the material; (ii) finite…
We test a possible digitization of $\mathrm{SU}(2)$ lattice gauge theories based on partitionings of the sphere $S_3$. In our construction the link operators are unitary and diagonal, with eigenvalues determined by the vertices of the…
Over short time intervals planetary ephemerides have been traditionally represented in analytical form as finite sums of periodic terms or sums of Poisson terms that are periodic terms with polynomial amplitudes. Nevertheless, this…
It is well known that any port-Hamiltonian (pH) system is passive, and conversely, any minimal and stable passive system has a pH representation. Nevertheless, this equivalence is only concerned with the input-output mapping but not with…
The "folding algorithm"\cite{fold1} is a matrix product state algorithm for simulating quantum systems that involves a spatial evolution of a matrix product state. Hence, the computational effort of this algorithm is controlled by the…
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…
We present a method for the calculation of electronic structure of systems that contain tens of thousands of atoms. The method is based on the division of the system into mutually overlapping fragments and the representation of the…
Compact representations of fermionic Hamiltonians are necessary to perform calculations on quantum computers that lack error-correction. A fermionic system is typically defined within a subspace of fixed particle number and spin while…
In this work, we develop a fully implicit Hybrid High-Order algorithm for the Cahn-Hilliard problem in mixed form. The space discretization hinges on local reconstruction operators from hybrid polynomial unknowns at elements and faces. The…
In this paper the old problem of determining the discrete spectrum of a multi-particle Hamiltonian is reconsidered. The aim is to bring a fermionic Hamiltonian for large numbers N of particles by analytical means into a shape such that…
The spectrum of excited states observed in the finite volume of lattice QCD is governed by the discrete symmetries of the cubic group. This finite group permits the mixing of orbital angular momentum quanta in the finite volume. As…
We propose a mixed quantum-classical hydrodynamic framework to model short-time inertial effects in the non-adiabatic evolution of a quantum solute coupled to a classical polar solvent. Drawing upon the work of Burghardt and Bagchi [Chem.…
We consider a composite open quantum system consisting of a fast subsystem coupled to a slow one. Using the time-scale separation, we develop an adiabatic elimination technique to derive at any order the reduced model describing the slow…
This chapter discusses contemporary quantum chemical methods and provides general insights into modern electronic structure theory with a focus on heavy-element-containing compounds. We first give a short overview of relativistic…
This study develops a novel multiscale computational method for heat conduction problems of composite structures with diverse periodic configurations in different subdomains. Firstly, the second-order two-scale (SOTS) solutions for these…
In this paper we develop a classical algorithm of complexity $O(K \, 2^n)$ to simulate parametrized quantum circuits (PQCs) of $n$ qubits, where $K$ is the total number of one-qubit and two-qubit control gates. The algorithm is developed by…
This paper is devoted to the factorization of multivariate polynomials into products of linear forms, a problem which has applications to differential algebra, to the resolution of systems of polynomial equations and to Waring decomposition…