Related papers: Algebraic Varieties in Quantum Chemistry
Generating large, non-trivial quantum chemistry test problems with known ground-state solutions remains a core challenge for benchmarking electronic structure methods. Inspired by planted-solution techniques from combinatorial optimization,…
The new light-front coupled-cluster (LFCC) method for the nonperturbative solution of Hamiltonian eigenvalue problems is described and then illustrated in an application to quantum electrodynamics. The method eliminates any necessity for a…
Quantum computing has emerged as a promising avenue for achieving significant speedup, particularly in large-scale PDE simulations, compared to classical computing. One of the main quantum approaches involves utilizing Hamiltonian…
In truncated coupled-cluster (CC) theories, non-variational and/or generally complex ground-state energies can occur. This is due to the non-Hermitian nature of the similarity transformed Hamiltonian matrix in combination with CC…
We generalize the hidden-fermion family of neural network quantum states to encompass both continuous and discrete degrees of freedom and solve the nuclear many-body Schr\"odinger equation in a systematically improvable fashion. We…
The central problem in electronic structure theory is the computation of the eigenvalues of the electronic Hamiltonian -- an unbounded, self-adjoint operator acting on a Hilbert space of antisymmetric functions. Coupled cluster (CC)…
The auxiliary field method is a powerful technique to obtain approximate closed-form energy formulas for eigenequations in quantum mechanics. Very good results can be obtained for Schr\"odinger and semirelativistic Hamiltonians with various…
Exact diagonalization (ED) is an essential tool for exploring quantum many-body physics but is fundamentally limited by the exponentially-scaled computational complexity. Here, we propose tensor network variational diagonalization (TNVD),…
Variational quantum calculations have borrowed many tools and algorithms from the machine learning community in the recent years. Leveraging great expressive power and efficient gradient-based optimization, researchers have shown that trial…
We study the application of various forms of the coupled cluster method to systems with paired fermions. The novel element of the analysis is the study of the breaking and eventual restoration of particle number in the CCM variants. We…
Recently a new formulation of quantum mechanics has been introduced, based on signed classical field-less particles interacting with an external field by means of only creation and annihilation events. In this paper, we extend this novel…
Quantum Monte Carlo (QMC) is an advanced simulation methodology for studies of manybody quantum systems. In this review, we focus on the electronic structure QMC, i.e., methods relevant for systems described by the electron-ion…
In this work we present the formal background used to develop the methods used in earlier works to extend the truncated Wigner representation of quantum and atom optics in order to address multi-time problems. The truncated Wigner…
Topological quantum many-body systems, such as Hall insulators, are characterized by a hidden order encoded in the entanglement between their constituents. Entanglement entropy, an experimentally accessible single number that globally…
Well defined quantum field theory (QFT) for the electroweak force including quantum electrodynamics (QED) and the weak force is obtained by considering natural unitary representations of a group $K\subset U(2,2)$, where $K$ is locally…
We define solvable quantum mechanical systems on a Hilbert space spanned by bipartite ribbon graphs with a fixed number of edges. The Hilbert space is also an associative algebra, where the product is derived from permutation group…
We implement a variational quantum algorithm to investigate the chiral condensate in a 1+1 dimensional SU(2) non-Abelian gauge theory. The algorithm is evaluated using a proposed Monte Carlo sampling method, which allows the extension to…
This work applies a reduced basis method to study the continuum physics of a finite quantum system -- either few or many-body. Specifically, I develop reduced-order models, or emulators, for the underlying inhomogeneous Schr\"{o}dinger…
The complex scaling method (CSM) is a useful similarity transformation of the Schr\"odinger equation, in which bound-state spectra are not changed but continuum spectra are separated into resonant and non-resonant continuum ones. Because…
Quantum periodic cluster methods for strongly correlated electron systems are reformulated and developed. The reformulation and development are based on a canonical transformation which periodizes the fermions in the cluster space. The…