Related papers: Computing excited states with isometric tensor net…
We present a conjugate-gradient method for the ground-state optimization of projected entangled-pair states (PEPS) in the thermodynamic limit, as a direct implementation of the variational principle within the PEPS manifold. Our…
We extend the standard semiclassical theory of Excited-State Quantum Phase Transitions (ESQPTs), based on a classification of stationary points in the classical Hamiltonian, to constrained systems. We adopt the method of Lagrange…
In this work, we consider a parameterized Ising model with long-range symmetric pairwise interactions on a network of spin $\frac{1}{2}$ particles. The system is designed with symmetric dynamics, allowing for the reduction of the state…
Finding the ground states of the Ising Hamiltonian [1] maps to various combinatorial optimization problems in biology, medicine, wireless communications, artificial intelligence, and social network. So far no efficient classical and quantum…
Calculation of observables with three-dimensional projected entangled pair states is generally hard, as it requires a contraction of complex multi-layer tensor networks. We utilize the multi-layer structure of these tensor networks to…
We study the properties of excited states in one-dimensional many-body localized (MBL) systems using a matrix product state algorithm. First, the method is tested for a large disordered non-interacting system, where for comparison we…
We find an efficient approach to approximately convert matrix product states (MPSs) into restricted Boltzmann machine wave functions consisting of a multinomial hidden unit through a canonical polyadic (CP) decomposition of the MPSs. This…
Relaxation processes following light excitation in semiconductors are key in materials-based quantum technology applications. These processes are broadly studied in atomically thin transition metal dichalcogenides (TMDs),…
Starting from the Quantum-Phase-Estimate (QPE) algorithm, a method is proposed to construct entangled states that describe correlated many-body systems on quantum computers. Using operators for which the discrete set of eigenvalues is…
Recent work from our research group has demonstrated that symmetry-projected Hartree--Fock (HF) methods provide a compact representation of molecular ground state wavefunctions based on a superposition of non-orthogonal Slater determinants.…
We explore the performance of a recently-introduced $N^5$-scaling excited-state-specific second order perturbation theory (ESMP2) on the singlet excitations of the Thiel benchmarking set. We find that, without regularization, ESMP2 is quite…
We develop a quantum-inspired numerical procedure for searching low-energy states of a classical Hamiltonian composed of two-body fully-connected random Ising interactions and a random local longitudinal magnetic field. In this method, we…
Tensor networks, a model that originated from quantum physics, has been gradually generalized as efficient models in machine learning in recent years. However, in order to achieve exact contraction, only tree-like tensor networks such as…
The geometric entanglement per lattice site, as a holistic measure of the multipartite entanglement, serves as a universal marker to detect quantum phase transitions in quantum many-body systems. However, it is very difficult to compute the…
We extend our recently-developed heat-bath configuration interaction (HCI) algorithm, and our semistochastic algorithm for performing multireference perturbation theory, to the calculation of excited-state wavefunctions and energies. We…
In quantum chemistry, obtaining a system's mean-field solution and incorporating electron correlation in a post Hartree-Fock (HF) manner comprise one of the standard protocols for ground-state calculations. In principle, this scheme can…
We propose a two-step protocol for inverting ultrafast spectroscopy experiments on a molecular aggregate to extract the time-evolution of the excited state density matrix. The first step is a deconvolution of the experimental signal to…
Motivated by recent advances in the creation of few-body atomic Fermi gases with attractive interactions, we study theoretically the few-to-many-particle crossover of pair excitations, which for large particle numbers evolve into a mode…
The series of articles [Ann. Phys. 345, 73 (2014) and 356, 57 (2015)] devoted to excited-state quantum phase transitions (ESQPTs) in systems with $f=2$ degrees of freedom is continued by studying the interacting boson model of nuclear…
To calculate excited states in quantum many-body systems, multi-configuration mixing has often been employed. However, it has been still unclear how to choose important Slater determinants from a huge model space. We propose a novel…