General & Applied Physics · Physics & Astronomy
Chemical Physics
The newest papers in Chemical Physics that ReadSearch has read, newest first. Each links to its own page, with its authors, date, where it was published and the original.
160 papers, from 4 September 2026 to 5 November 2026: 160 arXiv preprints.
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Newest papers, page 3
Cold Hypersonic Gas Jets for Precision Laser Spectroscopy of Radioactive Molecules
The sensitivity to possible beyond standard model physics via a study of the nuclear Schiff moment (NSM) has since recently been driving laser spectroscopy of short-lived radioactive molecules.Mitigating Errors in Variational Quantum Eigensolver Calculations through Extended Random Phase Approximation
Quantum hardware noise remains a major obstacle to accurate molecular simulations using the variational quantum eigensolver (VQE).Molecular Electrodynamic Relaxation in Dielectric and Plasmonic Cavities
Molecular radiative emission is a fundamental relaxation process that governs excited-state lifetimes and significantly influences photophysical dynamics, but direct self-consistent…Where the Error Lives: Spectral Representations of Learned Kohn-Sham Hamiltonians
Kohn-Sham density functional theory (DFT) is the standard method for computing the electronic structure of molecules and materials, but its self-consistent-field (SCF) iterations make it expensive…Efficient Block Encodings of Vibrational Hamiltonians
Simulation of molecular vibrations is emerging as a promising application of quantum computing in quantum chemistry.V-Representability Beyond Singular Times in Time-Dependent Density Functional Theory: The Hubbard Dimer Case
We study the global $V$-representability problem in time-dependent density functional theory (TDDFT) for the two-particle Hubbard dimer model in the spin-singlet sector.PULSES: multi-agent AI for autonomous excited-state model building and dynamics
Simulating molecular excited-state processes requires resolving electronic and nuclear dynamics, but the cost of direct quantum-chemical calculations limits accessible system sizes and timescales.Wavenumber-Aware Deep Learning for Robust Analysis of Raman Spectra
Machine-learning models for spectroscopy usually treat a spectrum as a fixed-grid intensity vector, leaving the physical coordinate implicit in the array index.A sharp gradient-corrected Lieb--Thirring inequality in one dimension with applications to density functional theory
We first prove a sharp Lieb-Thirring inequality with semi-classical constant and gradient correction in one dimension.SU(2)-Equivariant Spinor Message Passing for Molecular Magnetism
Predicting molecular magnetic properties often requires costly electronic-structure calculations that account for spin-orbit coupling.Bounds on Attainable Rate Modulation in Fermi's Golden Rule
Controlling transition rates is a central objective across quantum optics, condensed-matter physics, and chemical physics, encompassing processes such as spontaneous emission, energy and charge…Photon Correlations Control Quantum Fisher Information in Coherent Multidimensional Spectroscopy
Coherent multidimensional spectroscopy probes interactions and dynamics of molecular systems through nonlinear optical signals.Mamba Quantum Eigensolver (MQE): A Selective State Space Model for Scalable Ground State Simulations in Quantum Chemistry
Predicting molecular electronic structure using Quantum Computing approaches is a challenge in Computational Chemistry.Stationarity Constraints Improve Both Energies and Densities of Machine-Learned Exchange-Correlation Functionals
Empirical exchange-correlation functionals are fitted on fixed orbitals but used self-consistently, so better energies often come with worse densities.Measurement-efficient energy estimator for quantum chemistry of photodynamic materials
Accurate modelling of chemical reaction rates requires precise correlated energy differences.Ammonia-Hydrogen Phase Equilibria in Planetary Envelopes from First-Principles-Based Machine-Learning Molecular Dynamics
Ammonia and hydrogen are major constituents of planets within and beyond the solar system, yet how they interact in planetary envelopes is poorly known.Counterexamples to the total-current Hohenberg-Kohn conjecture
The total-current Hohenberg-Kohn conjecture asserts that the ground-state particle density and total current determine the scalar potential up to an additive constant and the vector potential up to…Low-Field J-Coupling Spectroscopy Measured with a Diamond Nitrogen Vacancy Spectrometer
Nitrogen vacancy centers in diamond (NVs) are point defects well suited to quantum sensing of magnetic fields.Isomer-resolved ion-molecule reaction kinetics of HCO+ and HOC+
The HCO$^+$/HOC$^+$ abundance ratio has been observed to vary significantly in different astrophysical environments, making it an important diagnostic tool for exploring the interstellar medium.Data-Driven Optimization of Seminumerical Exchange for SIMD CPUs
We present a seminumerical exchange algorithm (SNK) based on the sn-LinK method [Laqua et al., J. Chem.
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