Related papers: Excited states from eigenvector continuation: the …
We employ quantum Monte Carlo to obtain chemically accurate vertical and adiabatic excitation energies, and equilibrium excited-state structures for the small, yet challenging, formaldehyde and thioformaldehyde molecules. A key ingredient…
Understanding how out-of-equilibrium states thermalize under quantum unitary dynamics is an important problem in many-body physics. In this work, we propose a statistical ansatz for the matrix elements of non-equilibrium initial states in…
We perform a study of various anharmonic potentials using a recently developed method. We calculate both the wave functions and the energy eigenvalues for the ground and first excited states of the quartic, sextic and octic potentials with…
We apply the eigenvectors from a variational analysis to successfully extract the wave functions of even-parity excited states of the nucleon, including the Roper. We explore the first four states in the spectrum excited by the standard…
Atomistic electronic structure calculations are performed to study the coherent inter-dot couplings of the electronic states in a single InGaAs quantum dot molecule. The experimentally observed excitonic spectrum [12] is quantitatively…
The method of analytic continuation is used to find exact integral equations for a selection of finite-volume energy levels for the non-unitary minimal models $M_{2,2N+3}$ perturbed by their $\varphi_{13}$ operators. The N=2 case is studied…
Processes related to electronically excited states are central in many areas of science, however accurately determining excited-state energies remains a major challenge in theoretical chemistry. Recently, higher energy stationary states of…
The Hubbard model is a challenging quantum many-body problem and serves as a benchmark for quantum computing research. Accurate computation of its ground and excited state energies is essential for understanding correlated electron systems.…
Shell-model calculations play a key role in elucidating various properties of nuclei. In general, those studies require a huge number of calculations to be repeated for parameter calibration and quantifying uncertainties. To reduce the…
Inspired by ER=EPR conjecture we present a mathematical tool providing a link between quantum entanglement and the geometry of spacetime. We start with the idea of operators in extended Hilbert space which, by definition, has no positive…
Variational Quantum Eigensolver (VQE) provides a lucrative platform to determine molecular energetics in near-term quantum devices. While the VQE is traditionally tailored to determine the ground state wavefunction with the underlying…
Downfolding coupled cluster (CC) techniques are powerful tools for reducing the dimensionality of many-body quantum problems. This work investigates how ground-state downfolding formalisms can target excited states using non-Aufbau…
A new recursion procedure for deriving renormalized perturbation expansions for the one-dimensional anharmonic oscillator is offered. Based upon the $\hbar$-expansions and suitable quantization conditions, the recursion formulae obtained…
We analyze excited-state quantum phase transitions (ESQPTs) in three schematic (integrable and nonintegrable) models describing a single-mode bosonic field coupled to a collection of atoms. It is shown that the presence of the ESQPT in…
A problem of constructing excited state swave functions of the discrete spectrum of completely integrable quantum systems is considered. Recurrence relations defining wave functions up to the normalizing constant are obtained.
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.…
The prediction of electronic structure for strongly correlated molecules represents a promising application for near-term quantum computers. Significant attention has been paid to ground state wavefunctions, but excited states of molecules…
We study the effect of quantum entanglement maintained by virtual excitations in an ultrastrongly-coupled harmonic-oscillator system. Here, the quantum entanglement is caused by the counterrotating interaction terms and hence it is…
The basic Lipkin-Meshkov-Glick model displays a second order ground state quantum phase transition and an excited state quantum phase transition (ESQPT). The inclusion of an anharmonic term in the Hamiltonian implies a second ESQPT of a…
A typical task for classical and quantum computing in chemistry is finding a potential energy surface (PES) along a reaction coordinate, which involves solving the quantum chemistry problem for many points along the reaction path.…