Velocity Formulations for Hyper-Rayleigh Scattering Optical Activity Spectroscopy: Addressing the Origin-dependence Problem
Fuente:
arXiv
Saved in:
| Main Authors: | Bonvicini, Andrea, Coriani, Sonia, Champagne, Benoît |
|---|---|
| Format: | Preprint |
| Published: |
2026
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
pyHRSOA and pyTHSOA: Postprocessing Codes for the Computation of Second and Third‐Order Scattering Optical Activities
by: Andrea Bonvicini, et al.
Published: (2025)
by: Andrea Bonvicini, et al.
Published: (2025)
Formulation and Implementation of Frequency-Dependent Linear Response Properties with Relativistic Coupled Cluster Theory for GPU-accelerated Computer Architectures
by: Yuan, Xiang, et al.
Published: (2023)
by: Yuan, Xiang, et al.
Published: (2023)
Redundant parameter dependencies in truncated classic and quantum Linear Response and Equation of Motion theory
by: Kjellgren, Erik Rosendahl, et al.
Published: (2025)
by: Kjellgren, Erik Rosendahl, et al.
Published: (2025)
A Lanczos-based algorithm for sum-over-states calculations of NMR spin--spin coupling constants at the RPA level of theory: The Fermi-contact term
by: Zahn, Sarah L. V., et al.
Published: (2026)
by: Zahn, Sarah L. V., et al.
Published: (2026)
Tracking photophysical relaxation in spiropyran with simulated time-resolved X-ray absorption spectroscopy
by: Fransén, Lina, et al.
Published: (2025)
by: Fransén, Lina, et al.
Published: (2025)
Optically Addressing Circularly-Polarized Vibrations in Molecules
by: Lin, Chientzu, et al.
Published: (2025)
by: Lin, Chientzu, et al.
Published: (2025)
Theory of Lineshapes in Optical-Optical Double Resonance Spectroscopy
by: Lehmann, Kevin K.
Published: (2026)
by: Lehmann, Kevin K.
Published: (2026)
Resolving Open Problems on the Hyper-Zagreb Index and its Chemical Applications
by: Das, Kinkar Chandra, et al.
Published: (2026)
by: Das, Kinkar Chandra, et al.
Published: (2026)
Self-consistent Quantum Linear Response with a Polarizable Embedding environment
by: Reinholdt, Peter, et al.
Published: (2024)
by: Reinholdt, Peter, et al.
Published: (2024)
X-ray Absorption Spectra for Aqueous Ammonia and Ammonium: Quantum Mechanical versus Molecular Mechanical Embedding Schemes
by: Folkestad, Sarai Dery, et al.
Published: (2024)
by: Folkestad, Sarai Dery, et al.
Published: (2024)
Femtoliter Batch Reactors for Nanofluidic Scattering Spectroscopy Analysis of Catalytic Reactions on Single Nanoparticles
by: Altenburger, Björn, et al.
Published: (2025)
by: Altenburger, Björn, et al.
Published: (2025)
Critical Limitations in Quantum-Selected Configuration Interaction Methods
by: Reinholdt, Peter, et al.
Published: (2025)
by: Reinholdt, Peter, et al.
Published: (2025)
Understanding and mitigating noise in molecular quantum linear response for spectroscopic properties on quantum computers
by: Ziems, Karl Michael, et al.
Published: (2024)
by: Ziems, Karl Michael, et al.
Published: (2024)
Temperature dependence of Coherent versus spontaneous Raman Scattering
by: Batignani, Giovanni, et al.
Published: (2024)
by: Batignani, Giovanni, et al.
Published: (2024)
Ultrafast TACOS -- Terahertz-Assisted Chiro-Optical Spectroscopy
by: Terentjevas, Justas, et al.
Published: (2024)
by: Terentjevas, Justas, et al.
Published: (2024)
Addressing the Band Gap Problem with a Machine-Learned Exchange Functional
by: Bystrom, Kyle, et al.
Published: (2024)
by: Bystrom, Kyle, et al.
Published: (2024)
Reduced density matrix and cumulant approximations of quantum linear response
by: von Buchwald, Theo Juncker, et al.
Published: (2025)
by: von Buchwald, Theo Juncker, et al.
Published: (2025)
Quantum error mitigation using energy sampling and extrapolation enhanced Clifford data regression
by: Zhao, Zhongqi, et al.
Published: (2025)
by: Zhao, Zhongqi, et al.
Published: (2025)
Rapid, Broadband, Optical Spectroscopy of Cold Radicals
by: Patel, Ashay N., et al.
Published: (2025)
by: Patel, Ashay N., et al.
Published: (2025)
Orbital-Optimized Unitary Coupled Cluster for Indirect Nuclear Spin-Spin Coupling Constants within a Quantum Linear Response Framework
by: Fuglsbjerg, Juliane H., et al.
Published: (2025)
by: Fuglsbjerg, Juliane H., et al.
Published: (2025)
Cost-effective scalable quantum error mitigation for tiled Ansätze
by: Rasmussen, Oskar Graulund Lentz, et al.
Published: (2025)
by: Rasmussen, Oskar Graulund Lentz, et al.
Published: (2025)
Subspace methods for the simulation of molecular response properties on a quantum computer
by: Reinholdt, Peter, et al.
Published: (2024)
by: Reinholdt, Peter, et al.
Published: (2024)
Comparing and Contrasting Vibrational Wavepacket Dynamics and Impulsive Stimulating Raman Scattering Descriptions of Pump-Probe Spectroscopy: A Theoretical Study
by: Mitra, Subho, et al.
Published: (2026)
by: Mitra, Subho, et al.
Published: (2026)
Neutral Barium in Solid Neon: Optical Spectroscopy and First Excited State Lifetime
by: Lippi, Alessandro, et al.
Published: (2025)
by: Lippi, Alessandro, et al.
Published: (2025)
Three‐dimensional representation of the pure electric‐dipole and the mixed first hyperpolarizabilities: The modified unit sphere representation
by: Andrea Bonvicini, et al.
Published: (2024)
by: Andrea Bonvicini, et al.
Published: (2024)
Reduced density matrix formulation of quantum linear response
by: von Buchwald, Theo Juncker, et al.
Published: (2024)
by: von Buchwald, Theo Juncker, et al.
Published: (2024)
The X-ray absorption spectrum of the propargyl radical, C$_3$H$_3^{\cdot}$
by: Schaffner, Dorothee, et al.
Published: (2026)
by: Schaffner, Dorothee, et al.
Published: (2026)
Evaluation of Microscopic Origins in Nonlinear Optical Crystals: Based on Rigorous Atomic Space Tessellating
by: Chi, Yang
Published: (2024)
by: Chi, Yang
Published: (2024)
Optical Interference Effect in Strong-field Electronic Coherence Spectroscopy
by: Weckwerth, Eleanor, et al.
Published: (2025)
by: Weckwerth, Eleanor, et al.
Published: (2025)
Which options exist for NISQ-friendly linear response formulations?
by: Ziems, Karl Michael, et al.
Published: (2023)
by: Ziems, Karl Michael, et al.
Published: (2023)
Quantum Equation of Motion with Orbital Optimization for Computing Molecular Properties in Near-Term Quantum Computing
by: Jensen, Phillip W. K., et al.
Published: (2023)
by: Jensen, Phillip W. K., et al.
Published: (2023)
The variational quantum eigensolver self-consistent field method within a polarizable embedded framework
by: Kjellgren, Erik Rosendahl, et al.
Published: (2023)
by: Kjellgren, Erik Rosendahl, et al.
Published: (2023)
Enhancing Spin Coherence of Optically-Addressed Molecular Qubit by Nuclear Spin Hyperpolarization
by: Li, Boning, et al.
Published: (2026)
by: Li, Boning, et al.
Published: (2026)
Velocity Jumps for Molecular Dynamics
by: Gouraud, Nicolaï, et al.
Published: (2024)
by: Gouraud, Nicolaï, et al.
Published: (2024)
Non-Resonant Raman Optical Activity From Phase-Space Electronic Structure Theory
by: Tao, Zhen, et al.
Published: (2025)
by: Tao, Zhen, et al.
Published: (2025)
Exploring the Growth Dynamics of Size-selected Carbon Atomic Wires with in situ UV Resonance Raman Spectroscopy
by: Marabotti, Pietro, et al.
Published: (2025)
by: Marabotti, Pietro, et al.
Published: (2025)
Femtosecond Temporal Phase-Resolved Nonlinear Optical Spectroscopy in Molecules with Lock-in Enabled Phase Tracking
by: Pandey, Siddhant, et al.
Published: (2025)
by: Pandey, Siddhant, et al.
Published: (2025)
Electric Field Gradient Calculations for Ice VIII and IX using Polarizable Embedding: A Comparative Study on Classical Computers and Quantum Simulators
by: Nagy, Dániel, et al.
Published: (2024)
by: Nagy, Dániel, et al.
Published: (2024)
Spatial Signatures of Electron Correlation in Least-Squares Tensor Hyper-Contraction
by: Yin, Chao, et al.
Published: (2024)
by: Yin, Chao, et al.
Published: (2024)
Velocity Gauge for Oscillator Strength in $Δ$SCF theory
by: Shen, Yang, et al.
Published: (2026)
by: Shen, Yang, et al.
Published: (2026)
Similar Items
-
pyHRSOA and pyTHSOA: Postprocessing Codes for the Computation of Second and Third‐Order Scattering Optical Activities
by: Andrea Bonvicini, et al.
Published: (2025) -
Formulation and Implementation of Frequency-Dependent Linear Response Properties with Relativistic Coupled Cluster Theory for GPU-accelerated Computer Architectures
by: Yuan, Xiang, et al.
Published: (2023) -
Redundant parameter dependencies in truncated classic and quantum Linear Response and Equation of Motion theory
by: Kjellgren, Erik Rosendahl, et al.
Published: (2025) -
A Lanczos-based algorithm for sum-over-states calculations of NMR spin--spin coupling constants at the RPA level of theory: The Fermi-contact term
by: Zahn, Sarah L. V., et al.
Published: (2026) -
Tracking photophysical relaxation in spiropyran with simulated time-resolved X-ray absorption spectroscopy
by: Fransén, Lina, et al.
Published: (2025)