Cover Image

Qubit Count Reduction by Orthogonally-Constrained Orbital Optimization for Variational Quantum Excited States Solvers

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Bierman, Joel, Li, Yingzhou, Lu, Jianfeng
Format:	Preprint
Published:	2023
Subjects:	Chemical Physics
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

State-Specific Orbital Optimization for Enhanced Excited-States Calculation on Quantum Computers
by: Zhu, Guorui, et al.
Published: (2025)

Measurement Reduction in Orbital-Optimized Variational Quantum Eigensolver via Orbital Compression
by: Tao, Yanxian, et al.
Published: (2026)

Orthogonally Constrained CASSCF Framework: Newton-Raphson Orbital Optimization and Nuclear Gradients
by: Delafosse, Loris, et al.
Published: (2026)

Qumode-Based Variational Quantum Eigensolver for Molecular Excited States
by: Dutta, Rishab, et al.
Published: (2025)

CDFCI: High-Performance Parallel Software for Many-Body Large-Scale Eigenvalue Problems
by: Zhang, Yuejia, et al.
Published: (2026)

Quantum-Enhanced Sensing of Excited-State Dynamics with Correlated Photons
by: Fan, Jiahao Joel, et al.
Published: (2025)

Excited-State Quantum Chemistry on Qumode-Based Processors via Variational Quantum Deflation
by: Jost, Marlon F., et al.
Published: (2026)

Quantum Circuit for Non-Unitary Linear Transformation of Basis Sets
by: Zhu, Guorui, et al.
Published: (2025)

Hybrid QPE-Ansatz Strategy for Reliable Excited-State Variational Quantum Deflation
by: Ahn, Young Kyun, et al.
Published: (2026)

Orbital Energies Are Chemical Potentials in Ground-State Density Functional Theory and Excited-State $Δ$SCF Theory
by: Yang, Weitao, et al.
Published: (2024)

Ground and Excited States from Ensemble Variational Principles
by: Ding, Lexin, et al.
Published: (2024)

Natural Orbital Non-Orthogonal Configuration Interaction
by: Graf, Daniel, et al.
Published: (2024)

Landscape Analysis of Excited States Calculation over Quantum Computers
by: Chen, Hengzhun, et al.
Published: (2025)

Nuclear-Electronic Orbital Multireference Configuration Interaction for Ground and Excited Vibronic States and Fundamental Insights into Multicomponent Basis Sets
by: Malbon, Christopher L., et al.
Published: (2025)

Fragmentation of Virtual Orbitals for Quantum Computing: Reducing Qubit Requirements through Many-Body Expansion
by: Zahariev, Federico, et al.
Published: (2025)

Molecular Excited States using Quantum Subspace Methods: Accuracy, Resource Reduction, and Error-Mitigated Hardware Implementation of q-sc-EOM
by: Sundar, Srivathsan Poyyapakkam, et al.
Published: (2026)

Saddle Point Search Algorithms for Variational Density Functional Calculations of Excited Electronic States with Self-Interaction Correction
by: Schmerwitz, Yorick Leonard Adrian, et al.
Published: (2024)

Extension of the Active-Orbital-Based and Adaptive CC($P$;$Q$) Approaches to Excited Electronic States: Application to Potential Cuts of Water
by: Gururangan, Karthik, et al.
Published: (2024)

Parallel Multi-Coordinate Descent Methods for Full Configuration Interaction
by: Zhang, Yuejia, et al.
Published: (2024)

Nonadiabatic Dynamics with Constrained Nuclear-Electronic Orbital Theory
by: Liu, Zhe, et al.
Published: (2025)

Accurate Computation of Quantum Excited States with Neural Networks
by: Pfau, David, et al.
Published: (2023)

Ultrafast Excited-State Energy Transfer in Phenylene Ethynylene Dendrimer: Quantum Dynamics with Tensor Network Method
by: Liu, Sisi, et al.
Published: (2024)

Impact and Interplay of Quantum Coherence and Dissipative Dynamics for Isotope Effects in Excited-State Intramolecular Proton Transfer
by: Dé, Brieuc Le, et al.
Published: (2025)

Orbital Optimization and Neural-Network-Assisted Configuration Interaction Calculations of Rydberg States
by: Levi, Gianluca, et al.
Published: (2025)

Reinforcement Learning Assisted Quantum Simulation of Many-Body Excited States and Real-Time Dynamics
by: Zhang, Jiaji, et al.
Published: (2026)

Aufbau Suppressed Coupled Cluster Theory for Electronically Excited States
by: Tuckman, Harrison, et al.
Published: (2023)

Aufbau Suppressed Coupled Cluster Theory for Doubly Excited States
by: Javed, Qasim, et al.
Published: (2026)

Bayesian Optimization Priors for Efficient Variational Quantum Algorithms
by: Sorourifar, Farshud, et al.
Published: (2024)

Occupancy Extrapolation: Reaching Many Excited Electronic States from Ground State Calculations
by: Fan, Yichen, et al.
Published: (2026)

Excited State Properties from the Bethe--Salpeter Equation: State-to-State Transitions and Spin-Orbit Coupling
by: Himmelsbach, Paula, et al.
Published: (2024)

Quantum Solvers for Nonlinear Matrix Equations in Quantum Chemistry
by: Rodenas-Ruiz, Pablo, et al.
Published: (2026)

Excited States from Quasiparticle Hamiltonian Based on Density Functional Theory
by: Shen, Yang, et al.
Published: (2026)

The Photochemistry of Rydberg Excited Cyclobutanone: Photoinduced Processes and Ground State Dynamics
by: Eng, Julien, et al.
Published: (2024)

Excited States from Restricted Open Shell Plane-Wave DFT
by: Sahre, Michael J., et al.
Published: (2026)

QCDGE database, Quantum Chemistry Database with Ground- and Excited-state Properties of 450 Kilo Molecules
by: Zhu, Yifei, et al.
Published: (2024)

State Specific Measurement Protocols for the Variational Quantum Eigensolver
by: Bincoletto, Davide, et al.
Published: (2025)

Towards Balanced Description of Ground and Excited States with Transcorrelated F12 Methods
by: Masteran, Conner, et al.
Published: (2025)

Extension of the CIPSI-Driven CC($P$;$Q$) Approach to Excited Electronic States
by: Priyadarsini, Swati S., et al.
Published: (2026)

Tracking the Electron Density Changes in Excited States -- A Computational Study on Pyrazine
by: Pios, Sebastian V., et al.
Published: (2024)

Fractional Charges, Linear Conditions and Chemical Potentials for Excited States in $ΔSCF$ Theory
by: Yang, Weitao, et al.
Published: (2024)