相关论文: Near-frustration-free electronic structure Hamilto…

We consider the task of predicting Hamiltonian matrices to accelerate electronic structure calculations, which plays an important role in physics, chemistry, and materials science. Motivated by the inherent relationship between the…

Minimizing the energy of an $N$-electron system as a functional of a two-electron reduced density matrix (2-RDM), constrained by necessary $N$-representability conditions (conditions for the 2-RDM to represent an ensemble $N$-electron…

The development of numerical methods capable of simulating realistic materials with strongly correlated electrons, with controllable errors, is a central challenge in quantum many-body physics. Here we describe how a hybrid between…

We provide a quantum algorithm for simulating the dynamics of sparse Hamiltonians with complexity sublogarithmic in the inverse error, an exponential improvement over previous methods. Specifically, we show that a $d$-sparse Hamiltonian $H$…

Noncollinear (NC) magnetism and spin-orbit coupling (SOC) are indispensable for predictive ab initio materials simulations with pronounced relativistic effects and magnetic frustration, yet they significantly increase the cost of…

This article proposes a formalism which unifies Hamiltonian simulation techniques from different fields. This formalism leads to a competitive method to construct the Hamiltonian simulation with a comprehensible, simple-to-implement circuit…

We present a faster interior-point method for optimizing sum-of-squares (SOS) polynomials, which are a central tool in polynomial optimization and capture convex programming in the Lasserre hierarchy. Let $p = \sum_i q^2_i$ be an…

Compiling shallow and accurate quantum circuits for Hamiltonian simulation remains challenging due to hardware constraints and the combinatorial complexity of minimizing gate count and circuit depth. Existing optimization method pipelines…

We reassess employing the holographic technique to the description of 4D minimal composite Higgs model with $SO(5)\to SO(4)$ global symmetry breaking pattern. The particular 5D bottom-up holographic treatment is inspired by previous work in…

In loop quantum cosmology, one has to make a choice of SU(2) irreducible representation in which to compute holonomies and regularize the curvature of the connection. The systematic choice made in the literature is to work in the…

The unitary representation of exact quantum Poincare mapping is constructed. It is equivalent to the compact representation in a sense that it yields equivalent quantization condition with important advantage over the compact version: since…

We consider the problem of finding exact sums of squares (SOS) decompositions for certain classes of non-negative multivariate polynomials, relying on semidefinite programming (SDP) solvers. We start by providing a hybrid numeric-symbolic…

This paper presents a novel algorithm for constructing a sum-of-squares (SOS) decomposition for positive semi-definite polynomials with rational coefficients. Unlike previous methods that typically yield SOS decompositions with…

We have focused in the paper on the most prominent and intensively studied S=1 pseudospin formalism for extended bosonic Hubbard model (EHBM) with truncation of the on-site Hilbert space to the three lowest occupation states n = 0, 1, 2.…

This paper studies the combinatoric structure of the set of all representations, up to equivalence, of a finite-dimensional semisimple Lie algebra. This has intrinsic interest as a previously unsolved problem in representation theory, and…

We describe a semidefinite relaxation method which finds lower bounds to the ground state energy of a quantum Hamiltonian subject to Hermitian linear constraints along with approximations of ground state expectation values. We show that…

Site-occupation embedding theory (SOET) [B. Senjean et al., Phys. Rev. B 97, 235105 (2018)] is an in-principle exact embedding method combining wavefunction theory and density functional theory that gave promising results when applied to…

A novel reduced-scaling, general-order coupled-cluster approach is formulated by exploiting hierarchical representations of many-body tensors, combined with the recently suggested formalism of scale-adaptive tensor algebra. Inspired by the…

State sum constructions, such as Kuperberg's algorithm, give partition functions of physical systems, like lattice gauge theories, in various dimensions by associating local tensors or weights, to different parts of a closed triangulated…

Quantum algorithms for molecular electronic structure have been developed with lower computational scaling than their classical counterparts, but emerging quantum hardware is far from being capable of the coherence,connectivity and gate…