Cover Image

Beyond real: Alternative unitary cluster Jastrow models for molecular electronic structure calculations on near-term quantum computers

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Tkachenko, Nikolay V., Ren, Hang, Billings, Wendy M., Tomann, Rebecca, Whaley, K. Birgitta, Head-Gordon, Martin
Format:	Preprint
Published:	2025
Subjects:	Quantum Physics Chemical Physics
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Exponential quantum speedups for near-term molecular electronic structure methods
by: Leimkuhler, Oskar, et al.
Published: (2025)

An Error Mitigated Non-Orthogonal Quantum Eigensolver via Shadow Tomography
by: Ren, Hang, et al.
Published: (2025)

A static quantum embedding scheme based on coupled cluster theory
by: Shee, Avijit, et al.
Published: (2024)

Consistent inclusion of triple substitutions within a coupled cluster based static quantum embedding theory
by: Shee, Avijit, et al.
Published: (2026)

Real-time propagation of adaptive sampling selected configuration interaction wave function
by: Shee, Avijit, et al.
Published: (2024)

Spin parameter optimization for spin-polarized extended tight-binding methods
by: Moradi, Siyavash, et al.
Published: (2024)

Enhancement of vibrationally assisted energy transfer by proximity to exceptional points, probed by fluorescence-detected vibrational spectroscopy
by: Li, Zeng-Zhao, et al.
Published: (2023)

Deterministic Optimisation of Jastrow Factors
by: Filip, Maria-Andreea, et al.
Published: (2025)

Coupled-cluster pairing models for radicals with strong correlations
by: Lehtola, Susi, et al.
Published: (2025)

Performing quantum entangled biphoton spectroscopy using classical light pulses
by: Ko, Liwen, et al.
Published: (2023)

Reaching for the performance limit of hybrid density functional theory for molecular chemistry
by: Liang, Jiashu, et al.
Published: (2026)

Modular Construction of Jastrow Factors for the Transcorrelated Method
by: Haupt, J. Philip, et al.
Published: (2025)

Relativistic unitary coupled cluster method for ground-state molecular properties
by: Majee, Kamal, et al.
Published: (2025)

Partial separability of the Schroedinger equation combined with a Jastrow factor
by: Sech, Claude Le, et al.
Published: (2025)

Teachers that teach the irrelevant: Pre-training machine learned interaction potentials with classical force fields for robust molecular dynamics simulations
by: Yuan, Eric C. -Y., et al.
Published: (2025)

An improved guess for the variational calculation of charge-transfer excitations in large systems
by: Bogo, Nicola, et al.
Published: (2025)

Comparing self-consistent GW and vertex corrected G0W0 (G0W0Γ) accuracy for molecular ionization potentials
by: Wen, Ming, et al.
Published: (2023)

Completely Multipolar Model for Many-Body Water-Ion and Ion-Ion Interactions
by: Heindel, J. P., et al.
Published: (2024)

An algorithm for atom-centered lossy compression of the atomic orbital basis in density functional theory calculations
by: Lara, Anthony O., et al.
Published: (2025)

Frequency- and time-resolved second order quantum coherence function of IDTBT single-molecule fluorescence
by: Li, Quanwei, et al.
Published: (2026)

Toward the "platinum standard" of quantum chemistry on quantum computers: perturbative quadruple corrections in unitary coupled cluster theory
by: Windom, Zachary W., et al.
Published: (2025)

A new "gold standard": perturbative triples corrections in unitary coupled cluster theory and prospects for quantum computing
by: Windom, Zachary W., et al.
Published: (2024)

Near Equivalence of Polarizability and Bond Order Flux Metrics for Describing Covalent Bond Rearrangements
by: Kim, Lukas, et al.
Published: (2024)

Beyond MP2 initialization for unitary coupled cluster quantum circuits
by: Hirsbrunner, Mark R., et al.
Published: (2023)

Gold-Standard Chemical Database 137 (GSCDB137): A diverse set of accurate energy differences for assessing and developing density functionals
by: Liang, Jiashu, et al.
Published: (2025)

Folded Spectrum VQE : A quantum computing method for the calculation of molecular excited states
by: Tazi, Lila Cadi, et al.
Published: (2023)

Can Charge Transfer Across C-H...O Hydrogen Bonds Stabilize Oil Droplets in Water?
by: Zhao, Ruoqi, et al.
Published: (2025)

Equation-of-motion internally contracted multireference unitary coupled-cluster theory
by: Li, Shuhang, et al.
Published: (2025)

Practical techniques for high-precision measurements on near-term quantum hardware and applications in molecular energy estimation
by: Korhonen, Keijo, et al.
Published: (2024)

Rank-reduced equation-of-motion coupled cluster triples: an accurate and affordable way of calculating electronic excitation energies
by: Michalak, Piotr, et al.
Published: (2024)

Completely Multipolar Model as a General Framework for Many-Body Interactions as Illustrated for Water
by: Heindel, Joseph P., et al.
Published: (2024)

The Conundrum of Diffuse Basis Sets: A Blessing for Accuracy yet a Curse for Sparsity
by: Laqua, Henryk, et al.
Published: (2025)

Hamiltonian simulation-based quantum-selected configuration interaction for large-scale electronic structure calculations with a quantum computer
by: Sugisaki, Kenji, et al.
Published: (2024)

Trapped ion quantum hardware demonstration of energy calculations using a multireference unitary coupled cluster ansatz: application to the BeH2 insertion problem
by: Chawla, Palak, et al.
Published: (2025)

An attractive way to correct for missing singles excitations in unitary coupled cluster doubles theory
by: Windom, Zachary W., et al.
Published: (2024)

Spin-dependent terms of the Breit-Pauli Hamiltonian evaluated with an explicitly correlated Gaussian basis set for molecular computations
by: Jeszenszki, Péter, et al.
Published: (2025)

Analysis of fourth-, fifth-, and infinite-order triple excitations in unitary coupled cluster theory
by: Windom, Zachary W., et al.
Published: (2025)

Generalization of one-center non orthogonal configuration interaction singles to open shell singlet reference states: Theory and application to valence-core pump-probe states in acetylacetone
by: Arias-Martinez, Juan E., et al.
Published: (2023)

The Interplay of Pauli Repulsion, Electrostatics, and Field Inhomogeneity for Blueshifting and Redshifting Vibrational Probe Molecules
by: LaCour, R. Allen, et al.
Published: (2026)

Quantum-centric strong and dynamical electron correlation: A resource-efficient second-order $N$-electron valence perturbation theory formulation for near-term quantum devices
by: Fitzpatrick, Aaron, et al.
Published: (2024)