Related papers: Leveraging small scale quantum computers with unit…
Dynamical electronic- and vibrational-structure theories have received a growing interest in the last years due to their ability to simulate spectra recorded with ultrafast experimental techniques. The exact time evolution of a molecular…
Similarity Renormalization Group (SRG) flow equations can be used to unitarily soften nuclear Hamiltonians by decoupling high-energy intermediate state contributions to low-energy observables while maintaining the natural hierarchy of…
A new approach to large-scale nuclear structure calculations, based on the Density Matrix Renormalization Group (DMRG), is described. The method is tested in the context of a problem involving many identical nucleons constrained to move in…
The Similarity Renormalization Group (SRG) is investigated as a powerful yet practical method to modify nuclear potentials so as to reduce computational requirements for calculations of observables. The key feature of SRG transformations…
The similarity renormalization group (SRG) is based on unitary transformations that suppress off-diagonal matrix elements, forcing the hamiltonian towards a band-diagonal form. A simple SRG transformation applied to nucleon-nucleon…
We investigate the Ising and Heisenberg models using the Block Renormalization Group Method (BRGM), focusing on its behavior across different system sizes. The BRGM reduces the number of spins by a factor of 1/2 (1/3) for the Ising…
Ground-state fidelity (GSF) and quantum renormalization group theory (QRG) have proven useful tools in the study of quantum critical systems. Here we lay out a general, unified formalism of GSF and QRG; specifically, we propose a method to…
Quantum computers hold immense potential in the field of chemistry, ushering new frontiers to solve complex many body problems that are beyond the reach of classical computers. However, noise in the current quantum hardware limits their…
We reformulate the density matrix renormalization group method (DMRG) in terms of a single block, instead of the standard left and right blocks used in the construction of the superblock. This version of the DMRG, which we call the puncture…
Quantum algorithms for electronic-structure simulations are actively being developed, yet many hybrid quantum-classical approaches are bottlenecked by the measurement overhead associated with large molecular Hamiltonians. Here we introduce…
The Quantum Skip Gate (QSG) is a unitary circuit primitive that coherently superposes the execution and omission of an expensive quantum subroutine based on the outcome of a cheaper preceding subroutine, without mid-circuit measurement or…
Methods for electronic structure based on Gaussian and molecular orbital discretizations offer a well established, compact representation that forms much of the foundation of correlated quantum chemistry calculations on both classical and…
Sample-based quantum diagonalization (SQD) is an algorithm for hybrid quantum-classical molecular simulation that has been of broad interest for application with noisy intermediate scale quantum (NISQ) devices. However, SQD does not always…
The first nonperturbative version of the multireference driven similarity renormalization group (MR-DSRG) theory [C. Li and F. A. Evangelista, J. Chem. Theory Comput. $\mathbf{11}$, 2097 (2015)] is introduced. The renormalization group…
Quasi-degenerate eigenvalue problems are central to quantum chemistry and condensed-matter physics, where low-energy spectra often form manifolds of nearly degenerate states that determine physical properties. Standard quantum algorithms,…
Density Matrix Renormalization Group (DMRG) algorithm has been extremely successful for computing the ground states of one-dimensional quantum many-body systems. For problems concerned with mixed quantum states, however, it is less…
In the numerical analysis of strongly correlated quantum lattice models one of the leading algorithms developed to balance the size of the effective Hilbert space and the accuracy of the simulation is the density matrix renormalization…
Efforts to describe nuclear structure and dynamics from first principles have advanced significantly in recent years. Exact methods for light nuclei are now able to include continuum degrees of freedom and treat structure and reactions on…
Quantum computing is a promising candidate for accelerating machine learning tasks. Limited by the control accuracy of current quantum hardware, reducing the consumption of quantum resources is the key to achieving quantum advantage. Here,…
We present a new ab-initio method that uses similarity renormalization group (SRG) techniques to continuously diagonalize nuclear many-body Hamiltonians. In contrast with applications of the SRG to two- and three-nucleon interactions in…