.png){kind=icon}
Return
Quantum algorithms for generator coordinate methods
.png){kind=icon}
OA
AI
DOI：10.1103/PhysRevResearch.5.023200.png)
.png){kind=icon}
Original request for help.png){kind=icon}
Share.png){kind=icon}
Save
Abstract
En 中文
This paper discusses quantum algorithms for the generator coordinate method (GCM) that can be used to benchmark molecular systems. The GCM formalism defined by exponential operators with exponents defined through generators of the fermionic U(N) Lie algebra (Thouless theorem) offers a possibility of probing large subspaces using low-depth quantum circuits. In the present study, we illustrate the performance of the quantum algorithm for constructing a discretized form of the Hill-Wheeler equation for ground-and excited-state energies. We also generalize the standard GCM formulation to multiproduct extension that when collective paths are properly probed can systematically introduce higher rank effects and provide elementary mechanisms for symmetry purification when generator states break the spatial or spin symmetries. The GCM quantum algorithms also can be viewed as an alternative to existing variational quantum eigensolvers, where multistep classical optimization algorithms are replaced by a single-step procedure for solving the Hill-Wheeler eigenvalue problem.
Keywords:
COUPLED-CLUSTER METHOD
MOLECULAR-ORBITAL METHODS
HARTREE-FOCK EQUATIONS
STABILITY CONDITIONS
MEAN-FIELD
OPEN-SHELL
SYSTEMS
MOTION
MODEL
SIMULATION
Journal
IF:
4.2
Papers:
7.6K
Citations:
2.7W
Organization
Cited Papers
ShareSaveShareSaveShareSaveShareSaveShareSaveShareSaveMultireference symmetry-projected variational approaches for ground and excited states of the one-dimensional Hubbard model.png)
PHYSICAL REVIEW B
OAAI
PHYSICAL REVIEW BIF3.7
OAAIShareSave
View more