Quantum Simulation of Realistic Materials in First Quantization Using Non-local Pseudopotentials
Fuente:
arXiv
Saved in:
| Main Authors: | Berry, Dominic W., Rubin, Nicholas C., Elnabawy, Ahmed O., Ahlers, Gabriele, DePrince III, A. Eugene, Lee, Joonho, Gogolin, Christian, Babbush, Ryan |
|---|---|
| Format: | Preprint |
| Published: |
2023
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Fault-tolerant quantum simulation of materials using Bloch orbitals
by: Rubin, Nicholas C., et al.
Published: (2023)
by: Rubin, Nicholas C., et al.
Published: (2023)
Fast quantum simulation of electronic structure by spectrum amplification
by: Low, Guang Hao, et al.
Published: (2025)
by: Low, Guang Hao, et al.
Published: (2025)
Near-frustration-free electronic structure Hamiltonian representations and lower bound certificates
by: Rubin, Nicholas C., et al.
Published: (2026)
by: Rubin, Nicholas C., et al.
Published: (2026)
Static Electric Dipole Polarizability and Hyperpolarizability Tensors from Mean-Field Cavity Quantum Electrodynamics Approaches
by: DePrince III, A. Eugene, et al.
Published: (2025)
by: DePrince III, A. Eugene, et al.
Published: (2025)
Variational determination of the two‐electron reduced density matrix: A tutorial review
by: A. Eugene DePrince
Published: (2024)
by: A. Eugene DePrince
Published: (2024)
The orientation dependence of cavity-modified chemistry
by: Liebenthal, Marcus D., et al.
Published: (2024)
by: Liebenthal, Marcus D., et al.
Published: (2024)
Cavity Quantum Electrodynamics Ring Coupled Cluster and the Random Phase Approximation
by: DePrince III, A. Eugene, et al.
Published: (2026)
by: DePrince III, A. Eugene, et al.
Published: (2026)
Quantum computation of stopping power for inertial fusion target design
by: Rubin, Nicholas C., et al.
Published: (2023)
by: Rubin, Nicholas C., et al.
Published: (2023)
The discrete adiabatic quantum linear system solver has lower constant factors than the randomized adiabatic solver
by: Costa, Pedro C. S., et al.
Published: (2023)
by: Costa, Pedro C. S., et al.
Published: (2023)
Automated Quantum Chemistry Code Generation with the p$^\dagger$q Package
by: Liebenthal, Marcus D., et al.
Published: (2025)
by: Liebenthal, Marcus D., et al.
Published: (2025)
Quantum algorithm for linear matrix equations
by: Somma, Rolando D., et al.
Published: (2025)
by: Somma, Rolando D., et al.
Published: (2025)
Challenges for variational reduced-density-matrix theory with three-particle N-representability conditions
by: Li, Run R., et al.
Published: (2021)
by: Li, Run R., et al.
Published: (2021)
Extension of the CC($P$;$Q$) Formalism to the Electron Attachment and Ionization Potential Equation-of-Motion Coupled-Cluster Frameworks
by: Gururangan, Karthik, et al.
Published: (2025)
by: Gururangan, Karthik, et al.
Published: (2025)
Comparing Perturbative and Commutator-Rank-Based Truncation Schemes in Unitary Coupled-Cluster Theory
by: Phillips, Justin T., et al.
Published: (2025)
by: Phillips, Justin T., et al.
Published: (2025)
Data-driven Refinement of Electronic Energies from Two-Electron Reduced-Density-Matrix Theory
by: Jones, Grier M., et al.
Published: (2023)
by: Jones, Grier M., et al.
Published: (2023)
Time-Dependent Relativistic Two-Component Equation-of-Motion Coupled-Cluster for Open-Shell Systems: TD-EA/IP-EOMCC
by: Pathirage, P. D. Varuna S., et al.
Published: (2026)
by: Pathirage, P. D. Varuna S., et al.
Published: (2026)
Quantum simulation of electronic structure via quantum fast multipole method
by: Berry, Dominic W., et al.
Published: (2025)
by: Berry, Dominic W., et al.
Published: (2025)
Two-component relativistic equation-of-motion coupled cluster for electron ionization
by: Yuwono, Stephen H., et al.
Published: (2024)
by: Yuwono, Stephen H., et al.
Published: (2024)
Quantum simulation with sum-of-squares spectral amplification
by: King, Robbie, et al.
Published: (2025)
by: King, Robbie, et al.
Published: (2025)
Definitive Assessment of the Accuracy, Variationality, and Convergence of Relativistic Coupled Cluster and Density Matrix Renormalization Group in 100-Orbital Space
by: Upadhyay, Shiv, et al.
Published: (2026)
by: Upadhyay, Shiv, et al.
Published: (2026)
Freedom and Funding First.
by: Berry, John N., III
Published: (2001)
by: Berry, John N., III
Published: (2001)
Tailored and Externally Corrected Coupled Cluster with Quantum Inputs
by: Scheurer, Maximilian, et al.
Published: (2023)
by: Scheurer, Maximilian, et al.
Published: (2023)
Transcorrelated Theory with Pseudopotentials
by: Simula, Kristoffer, et al.
Published: (2024)
by: Simula, Kristoffer, et al.
Published: (2024)
IDENTIFICATION OF QUALITY IN EDUCATIONAL RESEARCH PUBLICATIONS: THE EUROPEAN EDUCATIONAL RESEARCH QUALITY INDICATORS (EERQI) PROJECT
by: Ingrid Gogolin
Published: (2012)
by: Ingrid Gogolin
Published: (2012)
Niveles de Capacidades en Educación Intercultural
by: Ingrid Gogolin
Published: (2011)
by: Ingrid Gogolin
Published: (2011)
Relativistic Two-component Double Ionization Potential Equation-of-Motion Coupled Cluster with the Dirac--Coulomb--Breit Hamiltonian
by: Li, Run R., et al.
Published: (2025)
by: Li, Run R., et al.
Published: (2025)
Numerically Exact Configuration Interaction at Quadrillion-Determinant Scale
by: Shayit, Agam, et al.
Published: (2025)
by: Shayit, Agam, et al.
Published: (2025)
Relativistic Core-Valence-Separated Molecular Mean-Field Exact-Two-Component Equation-of-Motion Coupled Cluster Theory: Applications to L-edge X-ray Absorption Spectroscopy
by: Banerjee, Samragni, et al.
Published: (2025)
by: Banerjee, Samragni, et al.
Published: (2025)
Rapid initial state preparation for the quantum simulation of strongly correlated molecules
by: Berry, Dominic W., et al.
Published: (2024)
by: Berry, Dominic W., et al.
Published: (2024)
Expressing and Analyzing Quantum Algorithms with Qualtran
by: Harrigan, Matthew P., et al.
Published: (2024)
by: Harrigan, Matthew P., et al.
Published: (2024)
Effects of Non-local Pseudopotentials on the Electrical and Thermal Transport Properties of Aluminum: A Density Functional Theory Study
by: Liu, Qianrui, et al.
Published: (2024)
by: Liu, Qianrui, et al.
Published: (2024)
Doubling Efficiency of Hamiltonian Simulation via Generalized Quantum Signal Processing
by: Berry, Dominic W., et al.
Published: (2024)
by: Berry, Dominic W., et al.
Published: (2024)
Analyzing Prospects for Quantum Advantage in Topological Data Analysis
by: Berry, Dominic W., et al.
Published: (2022)
by: Berry, Dominic W., et al.
Published: (2022)
Existence of a local strong solution to the beam–polymeric fluid interaction system
by: Dominic Breit, et al.
Published: (2025)
by: Dominic Breit, et al.
Published: (2025)
Relativistic coupled cluster with completely renormalized and perturbative triples corrections
by: Yuwono, Stephen H., et al.
Published: (2024)
by: Yuwono, Stephen H., et al.
Published: (2024)
Quantum Simulation of Nuclear Dynamics in First Quantization
by: Spagnoli, Luca, et al.
Published: (2025)
by: Spagnoli, Luca, et al.
Published: (2025)
Quantum phase estimation with optimal confidence interval using three control qubits
by: Kristjuhan, Kaur, et al.
Published: (2026)
by: Kristjuhan, Kaur, et al.
Published: (2026)
The New Constituency
by: Berry, John III
Published: (1969)
by: Berry, John III
Published: (1969)
Pseudopotentials, an overlooked source and remedy of DFT errors
by: Ye, Kuiyu, et al.
Published: (2025)
by: Ye, Kuiyu, et al.
Published: (2025)
From Orthogonalizing Pseudopotential to the Feshbach-Schur Projection
by: Nishonov, M. M.
Published: (2026)
by: Nishonov, M. M.
Published: (2026)
Similar Items
-
Fault-tolerant quantum simulation of materials using Bloch orbitals
by: Rubin, Nicholas C., et al.
Published: (2023) -
Fast quantum simulation of electronic structure by spectrum amplification
by: Low, Guang Hao, et al.
Published: (2025) -
Near-frustration-free electronic structure Hamiltonian representations and lower bound certificates
by: Rubin, Nicholas C., et al.
Published: (2026) -
Static Electric Dipole Polarizability and Hyperpolarizability Tensors from Mean-Field Cavity Quantum Electrodynamics Approaches
by: DePrince III, A. Eugene, et al.
Published: (2025) -
Variational determination of the two‐electron reduced density matrix: A tutorial review
by: A. Eugene DePrince
Published: (2024)