Cover Image

On the performance of QTP functionals applied to second-order response properties II: Dynamic polarizability and long-range C$_6$ coefficients

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Mendes, Rodrigo A., Franke, Peter R., Perera, Ajith, Bartlett, Rodney J.
Format:	Preprint
Published:	2026
Subjects:	Chemical Physics
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

An "ultimate" coupled cluster method based entirely on $T_2$
by: Windom, Zachary W., et al.
Published: (2024)

An assessment of frozen natural orbitals and band gaps using equation of motion coupled cluster theory: a case study on polyacene and trans-polyacetylene
by: Windom, Zachary W., et al.
Published: (2024)

A foundation machine learning potential with polarizable long-range interactions for materials modelling
by: Gao, Rongzhi, et al.
Published: (2024)

Performance of range-separated long-range SOPPA short-range density functional theory method for vertical excitation energies
by: Fuglsbjerg, Juliane H., et al.
Published: (2024)

Renormalization group approach to second-order Green's function theory
by: Krieger, Joshua, et al.
Published: (2025)

Spin-free exact two-component linear response coupled cluster theory for estimation of frequency-dependent second-order property
by: Chakraborty, Sudipta, et al.
Published: (2024)

Charge order, domain order, ideal mixing and absence of demixing in 2D binary mixtures of alcohols
by: Chelli, Lydia, et al.
Published: (2026)

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

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)

Factorized Quadruples and a Predictor of Higher-Level Correlation in Thermochemistry
by: Thorpe, James H., et al.
Published: (2024)

Accurate molecular polarizabilities with coupled-cluster theory and machine learning
by: Wilkins, David M., et al.
Published: (2018)

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)

Path-integral calculation of the third dielectric virial coefficient of helium based on ab initio three-body polarizability and dipole surfaces
by: Garberoglio, Giovanni, et al.
Published: (2024)

Fast and flexible long-range models for atomistic machine learning
by: Loche, Philip, et al.
Published: (2024)

Understanding the core limitations of second-order correlation-based functionals through: functional, orbital, and eigenvalue-driven analysis
by: Singh, Aditi, et al.
Published: (2025)

Force-Field-Enhanced Neural Network Interactions: from Local Equivariant Embedding to Atom-in-Molecule properties and long-range effects
by: Plé, Thomas, et al.
Published: (2023)

A polarizable CASSCF/MM approach using the interface between OpenMMPol library and CFour
by: Nottoli, Tommaso, et al.
Published: (2024)

The variational quantum eigensolver self-consistent field method within a polarizable embedded framework
by: Kjellgren, Erik Rosendahl, et al.
Published: (2023)

Nuclear-electronic orbital second-order coupled cluster for excited states
by: Fetherolf, Jonathan H., et al.
Published: (2025)

Dyck language and fermionic second quantization: II. Applications
by: Morere, Jérémy, et al.
Published: (2026)

Core-level signature of long-range density-wave order and short-range excitonic correlations probed by attosecond broadband spectroscopy
by: Zong, Alfred, et al.
Published: (2024)

Site-site interaction model for alcohol models in two-dimensions
by: Perera, Aurélien
Published: (2024)

An atomistic approach for modeling of polarizability and Raman scattering of water clusters and liquid water
by: Paul, Atanu, et al.
Published: (2025)

Efficient polarizable QM/MM using the direct reaction field Hamiltonian with electrostatic potential fitted multipole operators
by: Fay, Thomas P., et al.
Published: (2024)

Constrained nuclear-electronic orbital second-order Moller-Plesset perturbation theory
by: Tucker, Gabrielle B., et al.
Published: (2026)

Influence of octupole field on quadrupole mass filter performance in the second stability zone
by: Dutta, Anushree, et al.
Published: (2026)

Nonconvergence of the Feynman-Dyson diagrammatic perturbation expansion of propagators
by: Hirata, So, et al.
Published: (2023)

Medium-range structural order in amorphous arsenic
by: Liu, Yuanbin, et al.
Published: (2025)

Multiconfigurational short-range on-top pair-density functional theory
by: Jørgensen, Frederik Kamper, et al.
Published: (2024)

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

Scalable Hybrid Deep Neural Networks/Polarizable Potentials Biomolecular Simulations including long-range effects
by: Inizan, Théo Jaffrelot, et al.
Published: (2022)

Potential of mean force and underscreening of polarizable colloids in concentrated electrolytes
by: Krucker-Velasquez, Emily, et al.
Published: (2024)

An SO(3)-equivariant reciprocal-space neural potential for long-range interactions
by: Zhang, Lingfeng, et al.
Published: (2026)

Electric field-induced clustering in nanocomposite films of highly polarizable inclusions
by: Allahyarov, Elshad, et al.
Published: (2025)

Separating orders of response in transient absorption and coherent multi-dimensional spectroscopy by intensity variation
by: Krich, Jacob J., et al.
Published: (2025)

Predicting performance-related properties of refrigerant based on tailored small-molecule functional group contribution
by: Cao, Peilin, et al.
Published: (2025)

Exploring the role of mean-field potentials and short-range wave function behavior in the adiabatic connection
by: Scemama, Anthony, et al.
Published: (2024)

A modified expression for the Hamiltonian expectation value exploiting the short-range behavior of the wave function
by: Scemama, Anthony, et al.
Published: (2024)

An alternative approach to the osmotic second virial coefficient of protein solutions and its application to liquid liquid phase separation
by: Surfaro, Furio, et al.
Published: (2024)

Mesoscopic Correlations in Aqueous Alkylamine Mixtures Between Molecular and Micro Emulsions
by: Perera, Aurelien
Published: (2025)