Related papers: Compactifying the Electronic Wavefunction II: Quan…
The electronic Schr\"odinger equation describes the motion of N electrons under Coulomb interaction forces in a field of clamped nuclei. The solutions of this equation, the electronic wavefunctions, depend on 3N variables, three spatial…
The stochastic gravitational wave background (SGWB) consists of an incoherent collection of waves from both astrophysical and cosmological sources. To distinguish the SGWB from noise, it is essential to verify its quadrupolar nature,…
Quantum computing has the potential to significantly speed up complex computational tasks, and arguably the most promising application area for near-term quantum computers is the simulation of quantum mechanics. To make the most of our…
Estimating expectation values on near-term quantum computers often requires a prohibitively large number of measurements. One widely-used strategy to mitigate this problem has been to partition an operator's Pauli terms into sets of…
In parallel to the unified construction of relativistic Hamiltonians based solely on physical arguments [J. Chem. Phys. 160, 084111 (2024)], a unified implementation of relativistic wave function methods is achieved here via programming…
Accurately describing strongly correlated electronic systems remains a central challenge in quantum chemistry, as electron-electron interactions give rise to complex many-body wavefunctions that are difficult to capture with conventional…
Gravitational wave detectors (GWDs), which have brought about a new era in astronomy, have reached such a level of maturity that further improvement necessitates quantum-noise-evading techniques. Numerous proposals to this end have been…
Gravitational wave detection requires sophisticated signal processing to identify weak astrophysical signals buried in instrumental noise. Traditional matched filtering approaches face computational challenges with diverse signal…
We propose a systematic procedure for constructing effective lattice fermion models for narrow-band compounds on the basis of first-principles electronic structure calculations. The method is illustrated for the series of transition-metal…
We introduce a method for accurate quantum chemical calculations based on a simple variational wave function, defined by a single geminal that couples all the electrons into singlet pairs, combined with a real space correlation factor. The…
The stochastic gravitational-wave background (SGWB) is expected to arise from the superposition of many independent and unresolved gravitational-wave signals of either cosmological or astrophysical origin. The spectral content of the SGWB…
The general method for treating non-Gaussian wave functionals in the Hamiltonian formulation of a quantum field theory, which was previously proposed and developed for Yang--Mills theory in Coulomb gauge, is generalized to full QCD. For…
We show that a simple correlated wave function, obtained by applying a Jastrow correlation term to an Antisymmetrized Geminal Power (AGP), based upon singlet pairs between electrons, is particularly suited for describing the electronic…
We introduce a framework for the calculation of ground and excited state energies of bosonic systems suitable for near-term quantum devices and apply it to molecular vibrational anharmonic Hamiltonians. Our method supports generic reference…
We present the first implementation and computation of electron spin resonance isotropic hyperfine coupling constants (HFCs) on quantum hardware. As illustrative test cases, we compute the HFCs for the hydroxyl radical (OH$^{\bullet}$),…
The coalescence of compact objects is one of the most promising sources of gravitational waves for ground-based interferometric detectors, such as advanced LIGO and Virgo. Generically, com- pact objects in binaries are expected to be…
The response of a test particle, both for the free case and under the harmonic oscillator potential, to circularly polarized gravitational waves is investigated in a noncommutative quantum mechanical setting. The system is quantized…
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…
We present a method for network-capable quantum computing that relies on holographic spin-wave excitations stored collectively in ensembles of qubits. We construct an orthogonal basis of spin waves in a one-dimensional array and show that…
This paper introduces a novel approach to implementing non-unitary linear transformations of basis on quantum computational platforms, a significant leap beyond the conventional unitary methods. By integrating Singular Value Decomposition…