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Variational approaches, such as variational Monte Carlo (VMC) or the variational quantum eigensolver (VQE), are powerful techniques to tackle the ground-state many-electron problem. Often, the family of variational states is not invariant…

Quantum Physics · Physics 2023-10-10 Javier Robledo Moreno , Jeffrey Cohn , Dries Sels , Mario Motta

Various methods have been explored to prepare the spin-adapted ground state, the lowest energy state within the Hilbert space constrained by externally specified values of the total spin magnitude and the spin-$z$ component. In such problem…

Quantum Physics · Physics 2025-06-06 Takumi Kobori , Taichi Kosugi , Hirofumi Nishi , Synge Todo , Yu-ichiro Matsushita

Strongly coupled quantum field theories in $(1+1)$ dimensions are notoriously hard to solve non-perturbatively. Variational methods, despite their success for quantum many-body physics on the lattice, have long lacked a natural ansatz…

High Energy Physics - Theory · Physics 2026-04-14 Antoine Tilloy

We present in detail the recently developed multi-configurational symmetrized projector quantum Monte Carlo (MSPQMC) method for excited states of the Hubbard model. We describe the implementation of the Monte Carlo method for a…

Condensed Matter · Physics 2009-10-28 Bhargavi Srinivasan , S. Ramasesha , H. R. Krishnamurthy

Gradient-based optimization is a key ingredient of variational quantum algorithms, with applications ranging from quantum machine learning to quantum chemistry and simulation. The parameter-shift rule provides a hardware-friendly method for…

Quantum Physics · Physics 2025-10-08 Leonardo Banchi , Dominic Branford , Chetan Waghela

The famous, yet unsolved, Fermi-Hubbard model for strongly-correlated electronic systems is a prominent target for quantum computers. However, accurately representing the Fermi-Hubbard ground state for large instances may be beyond the…

We present a new variational method for investigating the ground state and out of equilibrium dynamics of quantum many-body bosonic and fermionic systems. Our approach is based on constructing variational wavefunctions which extend Gaussian…

Quantum Physics · Physics 2018-03-14 Tao Shi , Eugene Demler , J. Ignacio Cirac

Solving for molecular excited states remains one of the key challenges of modern quantum chemistry. Traditional methods are constrained by existing computational capabilities, limiting the complexity of the molecules that can be studied or…

Quantum Physics · Physics 2021-04-13 Jules Tilly , Glenn Jones , Hongxiang Chen , Leonard Wossnig , Edward Grant

An approximation method which combines the perturbation theory with the variational calculation is constructed for quantum mechanical problems. Using the anharmonic oscillator and the He atom as examples, we show that the present method…

Quantum Physics · Physics 2009-10-30 Sang Koo You , Kwang Joe Jeon , Chul Koo Kim , Kyun Nahm

The simulation of many-body open quantum systems is key to solving numerous outstanding problems in physics, chemistry, material science, and in the development of quantum technologies. Near-term quantum computers may bring considerable…

Quantum Physics · Physics 2025-02-05 Sara Santos , Xinyu Song , Vincenzo Savona

Variational quantum algorithms have been a promising candidate to utilize near-term quantum devices to solve real-world problems. The powerfulness of variational quantum algorithms is ultimately determined by the expressiveness of the…

Quantum Physics · Physics 2023-05-23 Xiaokai Hou , Qingyu Li , Man-Hong Yung , Xusheng Xu , Zizhu Wang , Chu Guo , Xiaoting Wang

Computing excitation spectra of quantum many-body systems is a promising avenue to demonstrate the practical utility of current noisy quantum devices, especially as we move toward the ``megaquop'' regime. For this task, here we introduce a…

Quantum Physics · Physics 2026-04-16 Ji-Yao Chen , Bochen Huang , D. L. Zhou , Norbert Schuch , Chenfeng Cao , Muchun Yang

Variational quantum algorithms have emerged as a powerful tool for harnessing the potential of near-term quantum devices to address complex challenges across quantum science and technology. Yet, the robust and scalable quantification of…

Quantum Physics · Physics 2025-10-21 Vahid Azimi-Mousolou , Prashant Singh

Approximating ground and a fixed number of excited state energies, or equivalently low order Hamiltonian eigenvalues, is an important but computationally hard problem. Typically, the cost of classical deterministic algorithms grows…

Quantum Physics · Physics 2015-08-10 Stuart Hadfield , Anargyros Papageorgiou

We present explicit expressions for the central piece of a variational method developed by Shi et al. which extends variational wave functions that are efficiently computable on classical computers beyond mean-field to generalized Gaussian…

Quantum Physics · Physics 2021-09-23 Michael P. Kaicher , Simon B. Jäger , Frank K. Wilhelm

We compute the spectrum of excited nucleons using the anisotropic Wilson lattice with two flavors of dynamical fermions. Using optimized sets of operators which transform irreducibly under the octahedral group, matrices of correlation…

We propose an extension of the Variational Quantum Eigensolver (VQE) that leads to more accurate energy estimations and can be used to study excited states. The method is based on the introduction of a sequence of increasing penalties in…

Quantum Physics · Physics 2023-05-17 Rodolfo Carobene , Stefano Barison , Andrea Giachero

Excited state contamination remains one of the most challenging sources of systematic uncertainty to control in lattice QCD calculations of nucleon matrix elements and form factors: early time separations are contaminated by excited states…

We present a new subspace iteration method for computing low-lying eigenpairs (excited states) of high-dimensional quantum many-body Hamiltonians with nearest neighbor interactions on two-dimensional lattices. The method is based on a new…

Numerical Analysis · Mathematics 2025-10-24 Alec Dektor , Runze Chi , Roel Van Beeumen , Chao Yang

Quantum algorithms based on the variational principle have found applications in diverse areas with a huge flexibility. But as the circuit size increases the variational landscapes become flattened, causing the so-called Barren plateau…

Quantum Physics · Physics 2025-09-03 Fabio Tarocco , Davide Materia , Leonardo Ratini , Leonardo Guidoni