相关论文: Near-frustration-free electronic structure Hamilto…
The moment-sum-of-squares (moment-SOS) hierarchy is one of the most celebrated and widely applied methods for approximating the minimum of an n-variate polynomial over a feasible region defined by polynomial (in)equalities. A key feature of…
Nonrelativistic quantum mechanics and conformal quantum mechanics are deformed through a Jordanian twist. The deformed space coordinates satisfy the Snyder noncommutativity. The resulting deformed Hamiltonians are pseudo-Hermitian…
Many promising quantum applications depend on the efficient quantum simulation of an exponentially large sparse Hamiltonian, a task known as sparse Hamiltonian simulation, which is fundamentally important in quantum computation. Although…
This paper proposes a novel higher-order multi-scale (HOMS) computational method, which is highly targeted for efficient, high-accuracy and low-computational-cost simulation of hygro-thermo-mechanical (H-T-M) coupling problems in…
The Hubbard model on a semi-infinite three-dimensional lattice is considered to investigate electron-correlation effects at single-crystal surfaces. The standard second-order perturbation theory in the interaction U is used to calculate the…
We consider a quantum fully packed loop model on the square lattice with a frustration-free projector Hamiltonian and ring-exchange interactions acting on plaquettes. A boundary Hamiltonian is added to favour domain-wall boundary conditions…
Correlated many-body problems ubiquitously appear in various fields of physics such as condensed matter physics, nuclear physics, and statistical physics. However, due to the interplay of the large number of degrees of freedom, it is…
The variational reduced density matrix theory has been recently applied with great success to models within the truncated doubly-occupied configuration interaction space, which corresponds to the seniority zero subspace. Conservation of the…
The reduced density matrix (RDM) is crucial in quantum many-body systems for understanding physical properties, including all local physical quantity information. This study aims to minimize various error constraints that causes challenges…
Generalizing the quantum sine-Gordon and sausage models, we construct exact S-matrices for higher spin representations with quantum U_q(su(2)) symmetry, which satisfy unitarity, crossing-symmetry, and the Yang-Baxter equations with…
We present a constructive solution to the N-representability problem---a full characterization of the conditions for constraining the two-electron reduced density matrix (2-RDM) to represent an N-electron density matrix. Previously known…
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…
Quasi-2D Coulomb systems are of fundamental importance and have attracted much attention in many areas nowadays. Their reduced symmetry gives rise to interesting collective behaviors, but also brings great challenges for particle-based…
Simulations of large scale dynamical systems in multi-query or real-time contexts require efficient surrogate modelling techniques, as e.g. achieved via Model Order Reduction (MOR). Recently, symplectic methods like the complex singular…
A square-root-free matrix QR decomposition (QRD) scheme was rederived in [1] based on [2] to simplify computations when solving least-squares (LS) problems on embedded systems. The scheme of [1] aims at eliminating both the square-root and…
We prove that estimating the ground state energy of a translationally-invariant, nearest-neighbour Hamiltonian on a 1D spin chain is QMAEXP-complete, even for systems of low local dimension (roughly 40). This is an improvement over the best…
The Worldvolume Hybrid Monte Carlo (WV-HMC) method [arXiv:2012.08468] is an efficient algorithm for addressing the numerical sign problem at moderate computational cost. It mitigates the sign problem while avoiding the ergodicity issues…
This paper studies the problem of hybrid holographic beamforming for sum-rate maximization in a communication system assisted by a reconfigurable holographic surface. Existing methodologies predominantly rely on gradient-based or…
H\"uckel molecular orbital (HMO) theory provides a semi-empirical treatment of the electronic structure in conjugated {\pi}-electronic systems. A scalable system-agnostic execution of HMO theory on a quantum computer is reported here based…
In this article, we combine the periodic sinc basis set with a curvilinear coordinate system for electronic structure calculations. This extension allows for variable resolution across the computational domain, with higher resolution close…