Sparse Configuration Interaction for the Electronic Schrödinger Equation Revisited: Complete Basis Set Limit Complexity and Quantum-Encoding Impact
- URL: http://arxiv.org/abs/2606.20385v1
- Date: Thu, 18 Jun 2026 15:43:49 GMT
- Title: Sparse Configuration Interaction for the Electronic Schrödinger Equation Revisited: Complete Basis Set Limit Complexity and Quantum-Encoding Impact
- Abstract summary: We revisit regularity results for eigenfunctions in the discrete spectrum of the electronic Schrdinger equation.<n>For general sparse grid constructions, the main term of the convergence rate with respect to the number of degrees of freedom is independent of the number of electrons.
- Score: 0.0
- License: http://creativecommons.org/licenses/by/4.0/
- Abstract: In this article we revisit regularity results for eigenfunctions in the discrete spectrum of the electronic Schrödinger equation and study their consequences for approximation complexity. In particular, for the convergence to the complete basis set limit, it can be shown that the curse of dimensionality in the leading algebraic exponent can be mitigated. That is, for general sparse grid constructions, the main term of the convergence rate with respect to the number of degrees of freedom is independent of the number of electrons. These insights indicate potential benefits for classical numerical solvers of the electronic Schrödinger equation and also for quantum-computing approaches through new qubit-efficient wavefunction encodings.
Related papers
- Wavelength-Uniform Quantum Algorithms for Quantum Dynamics [39.740772144144366]
We develop a quantum algorithm for it all ranges of wavelengths. Specifically, it has a it complexity in spatial dimension, and discretization and bounds it without negative powers of possibly small wavelength, thus enabling it to capture the correct physical observables even if the spatial grid does not resolve the frequency, hence defying the Nyquist-Shannon sampling theorem.
arXiv Detail & Related papers (2026-09-07T12:00:04Z) - Quantum simulation of the Liouville equation in classical mechanics with discontinuous potential via Schrödingerization [42.22857110018992]
We develop quantum simulation algorithms for the Liouville equation of classical mechanics with discontinuous potential.<n>We combine Hamiltonian-preserving schemes by Jin and Wen in Commun. Math. Sci. 3(3), 285-315 (2005) with the Schrdingerization method, which embeds the resulting nonunitary semi-discrete dynamics into a unitary Schrdinger type system.
arXiv Detail & Related papers (2026-06-13T02:49:05Z) - Multi-Directional Periodic Driving of a Two-Level System beyond Floquet Formalism [1.1470070927586018]
We introduce an exact expression for the response of a semi-classical two-level quantum system subject to arbitrary periodic driving.<n>We use the $star$-resolvent formalism with the path-sum theorem to determine the exact series solution to Schr"odinger's equation.
arXiv Detail & Related papers (2025-11-06T01:59:17Z) - Characterizing randomness in parameterized quantum circuits through expressibility and average entanglement [39.58317527488534]
Quantum Circuits (PQCs) are still not fully understood outside the scope of their principal application.<n>We analyse the generation of random states in PQCs under restrictions on the qubits connectivities.<n>We place a connection between how steep is the increase on the uniformity of the distribution of the generated states and the generation of entanglement.
arXiv Detail & Related papers (2024-05-03T17:32:55Z) - A quantum eigenvalue solver based on tensor networks [0.0]
Electronic ground states are of central importance in chemical simulations, but have remained beyond the reach of efficient classical algorithms.
We introduce a hybrid quantum-classical eigenvalue solver that constructs a wavefunction ansatz from a linear combination of matrix product states in rotated orbital bases.
This study suggests a promising new avenue for scaling up simulations of strongly correlated chemical systems on near-term quantum hardware.
arXiv Detail & Related papers (2024-04-16T02:04:47Z) - Simulating electronic structure on bosonic quantum computers [34.84696943963362]
We propose an approach to map the electronic Hamiltonian into a qumode bosonic problem that can be solved on bosonic quantum devices.<n>This work establishes a new pathway for simulating many-fermion systems, highlighting the potential of hybrid qubit-qumode quantum devices.
arXiv Detail & Related papers (2024-04-16T02:04:11Z) - A Lie Algebraic Theory of Barren Plateaus for Deep Parameterized Quantum Circuits [37.84307089310829]
Variational quantum computing schemes train a loss function by sending an initial state through a parametrized quantum circuit.
Despite their promise, the trainability of these algorithms is hindered by barren plateaus.
We present a general Lie algebra that provides an exact expression for the variance of the loss function of sufficiently deep parametrized quantum circuits.
arXiv Detail & Related papers (2023-09-17T18:14:10Z) - Quantum model of hydrogen-like atoms in hilbert space by introducing the
creation and annihilation operators [0.0]
An analytical approach with series is extensively used based on wave mechanics theory in most of quantum textbooks.
We will illustrate how systematically making an appropriate groundwork to discover the coherent states can lead to providing the energy quantization and normalized radial wave functions attached to the matrix representation.
arXiv Detail & Related papers (2023-08-25T14:42:55Z) - Say NO to Optimization: A Non-Orthogonal Quantum Eigensolver [0.0]
A balanced description of both static and dynamic correlations in electronic systems with nearly degenerate low-lying states presents a challenge for multi-configurational methods on classical computers.
We present here a quantum algorithm utilizing the action of correlating cluster operators to provide high-quality wavefunction ans"atze.
arXiv Detail & Related papers (2022-05-18T16:20:36Z) - Decimation technique for open quantum systems: a case study with
driven-dissipative bosonic chains [62.997667081978825]
Unavoidable coupling of quantum systems to external degrees of freedom leads to dissipative (non-unitary) dynamics.
We introduce a method to deal with these systems based on the calculation of (dissipative) lattice Green's function.
We illustrate the power of this method with several examples of driven-dissipative bosonic chains of increasing complexity.
arXiv Detail & Related papers (2022-02-15T19:00:09Z) - Numerical Simulations of Noisy Quantum Circuits for Computational
Chemistry [51.827942608832025]
Near-term quantum computers can calculate the ground-state properties of small molecules.
We show how the structure of the computational ansatz as well as the errors induced by device noise affect the calculation.
arXiv Detail & Related papers (2021-12-31T16:33:10Z) - Alternative quantisation condition for wavepacket dynamics in a
hyperbolic double well [0.0]
We propose an analytical approach for computing the eigenspectrum and corresponding eigenstates of a hyperbolic double well potential of arbitrary height or width.
Considering initial wave packets of different widths and peak locations, we compute autocorrelation functions and quasiprobability distributions.
arXiv Detail & Related papers (2020-09-18T10:29:04Z) - Dissipation-engineering of nonreciprocal quantum dot circuits: An
input-output approach [6.211723927647019]
Nonreciprocal effects in nanoelectronic devices offer unique possibilities for manipulating electron transport and engineering quantum electronic circuits.
We provide a general input-output description of nonreciprocal transport in solid-state quantum dot architectures.
We show that a nonreciprocal coupling induces unidirectional electron flow in the resonant transport regime.
arXiv Detail & Related papers (2020-04-11T14:13:14Z)
This list is automatically generated from the titles and abstracts of the papers in this site.
This site does not guarantee the quality of this site (including all information) and is not responsible for any consequences.