Saved in:
| Main Authors: | Folkestad, Sarai Dery, Kruken, Kristine Lauvstad, Koch, Henrik |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | https://arxiv.org/abs/2504.04459 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
An orthogonal electronic state view on charge delocalization and transfer
by: Folkestad, Sarai Dery, et al.
Published: (2025)
by: Folkestad, Sarai Dery, et al.
Published: (2025)
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)
The role of charge resonances in the benzene dimer
by: Balbi, Alice, et al.
Published: (2025)
by: Balbi, Alice, et al.
Published: (2025)
Similarity Constrained CC2 for Efficient Coupled Cluster Nonadiabatic Dynamics
by: Stoll, Leo, et al.
Published: (2025)
by: Stoll, Leo, et al.
Published: (2025)
Analytic Gradients of Approximate Coupled Cluster Methods with Quadruple Excitations
by: Matthews, Devin A.
Published: (2020)
by: Matthews, Devin A.
Published: (2020)
Coupled cluster theory for nonadiabatic dynamics: nuclear gradients and nonadiabatic couplings in similarity constrained coupled cluster theory
by: Kjønstad, Eirik F., et al.
Published: (2024)
by: Kjønstad, Eirik F., et al.
Published: (2024)
Coupled-Cluster Imaginary-Time Evolution and the Coupled-Cluster Energy Variance
by: Ai, Yuhang, et al.
Published: (2026)
by: Ai, Yuhang, et al.
Published: (2026)
Fast and Accurate Charge Transfer Excitations via Nested Aufbau Suppressed Coupled Cluster
by: Tuckman, Harrison, et al.
Published: (2025)
by: Tuckman, Harrison, et al.
Published: (2025)
Convex Hartree-Fock theory: A simple framework for ground state conical intersections
by: Rossi, Federico, et al.
Published: (2025)
by: Rossi, Federico, et al.
Published: (2025)
Understanding failures in electronic structure methods arising from the geometric phase effect
by: Kjønstad, Eirik F., et al.
Published: (2024)
by: Kjønstad, Eirik F., et al.
Published: (2024)
Coupled cluster theory for positron binding in anions and polyatomic molecules
by: Riso, Rosario R., et al.
Published: (2026)
by: Riso, Rosario R., et al.
Published: (2026)
Vertical Excitation Energies of Embedded Systems: The Vertical Excitation Model (VEM) within Polarizable QM/MM
by: Sepali, Chiara, et al.
Published: (2025)
by: Sepali, Chiara, et al.
Published: (2025)
Double Ionization Potential Equation-of-Motion Coupled-Cluster Approach with Full Inclusion of 4-Hole-2-Particle Excitations and Three-Body Clusters
by: Gururangan, Karthik, et al.
Published: (2024)
by: Gururangan, Karthik, et al.
Published: (2024)
Enhanced Excitation Energy Transfer under Strong Light-Matter Coupling: Insights from Multi-Scale Molecular Dynamics Simulations
by: Sokolovskii, Ilia, et al.
Published: (2022)
by: Sokolovskii, Ilia, et al.
Published: (2022)
Reduced-Cost Four-Component Relativistic Double Ionization Potential Equation-of-Motion Coupled-Cluster Approaches with 4-Hole--2-Particle Excitations and Three-Body Clusters
by: Mukhopadhyay, Tamoghna, et al.
Published: (2025)
by: Mukhopadhyay, Tamoghna, et al.
Published: (2025)
Realistic ab initio predictions of excimer behavior under collective light-matter strong coupling
by: Castagnola, Matteo, et al.
Published: (2024)
by: Castagnola, Matteo, et al.
Published: (2024)
Restoring the Conical Intersection Topology using Convex Density Functional Theory
by: Rossi, Federico, et al.
Published: (2026)
by: Rossi, Federico, et al.
Published: (2026)
Tensor Hypercontraction Form of the Perturbative Triples Energy in Coupled-Cluster Theory
by: Jiang, Andy, et al.
Published: (2022)
by: Jiang, Andy, et al.
Published: (2022)
Collective Strong Coupling Modifies Aggregation and Solvation
by: Castagnola, Matteo, et al.
Published: (2023)
by: Castagnola, Matteo, et al.
Published: (2023)
Determining minimum energy conical intersections by enveloping the seam: exploring ground and excited state intersections in coupled cluster theory
by: Angelico, Sara, et al.
Published: (2024)
by: Angelico, Sara, et al.
Published: (2024)
Complex-Energy Second-Order Approximate Coupled-Cluster Methods for Electronic Resonances
by: Utku, Cansu, et al.
Published: (2025)
by: Utku, Cansu, et al.
Published: (2025)
Performance of Automatic Active Space Selection for Electronic Excitation Energies
by: Shirazi, Reza G., et al.
Published: (2025)
by: Shirazi, Reza G., et al.
Published: (2025)
SpinAdaptedSecondQuantization.jl 1.0 -- A Simple and Pedagogical Approach to Symbolic Quantum Chemistry
by: Lexander, Marcus T., et al.
Published: (2025)
by: Lexander, Marcus T., et al.
Published: (2025)
A Complete Active Space Self-Consistent Field approach for molecules in QED environments
by: Alessandro, Riccardo, et al.
Published: (2025)
by: Alessandro, Riccardo, et al.
Published: (2025)
Theory of magnetic properties in QED environments: application to molecular aromaticity
by: Barlini, Alberto, et al.
Published: (2024)
by: Barlini, Alberto, et al.
Published: (2024)
Strong coupling electron-photon dynamics: a real-time investigation of energy redistribution in molecular polaritons
by: Castagnola, Matteo, et al.
Published: (2024)
by: Castagnola, Matteo, et al.
Published: (2024)
Multilevel DFT Response Theory
by: Barlini, Alberto, et al.
Published: (2026)
by: Barlini, Alberto, et al.
Published: (2026)
Transition-Potential Coupled Cluster
by: Simons, Megan E., et al.
Published: (2020)
by: Simons, Megan E., et al.
Published: (2020)
Double Electron Attachment and Double Ionization Potential Equation-of-Motion Coupled-Cluster Approaches with Full and Active-Space Treatments of 4-Particle-2-Hole and 4-Hole-2-Particle Excitations and Three-Body Clusters
by: Shen, Jun, et al.
Published: (2026)
by: Shen, Jun, et al.
Published: (2026)
A Comparison of Relativistic Coupled Cluster and Equation of Motion Coupled Cluster Quadratic Response Theory
by: Yuan, Xiang, et al.
Published: (2025)
by: Yuan, Xiang, et al.
Published: (2025)
Generalized coupled cluster theory for ground and excited state intersections
by: Rossi, Federico, et al.
Published: (2024)
by: Rossi, Federico, et al.
Published: (2024)
Chiral polaritonics: cavity-mediated enantioselective excitation condensation
by: Riso, Rosario R., et al.
Published: (2024)
by: Riso, Rosario R., et al.
Published: (2024)
Impact of Spatial Inhomogeneity on Excitation Energy Transport in the Fenna-Matthews-Olson Complex
by: Bose, Amartya, et al.
Published: (2023)
by: Bose, Amartya, et al.
Published: (2023)
Accelerating the Convergence of Higher-Order Coupled Cluster Methods II: Coupled Cluster $Λ$ Equations and Dynamic Damping
by: Matthews, Devin A.
Published: (2020)
by: Matthews, Devin A.
Published: (2020)
Algebraic Diagrammatic Construction Theory of Charged Excitations With Consistent Treatment of Spin-Orbit Coupling and Dynamic Correlation
by: Majumder, Rajat, et al.
Published: (2024)
by: Majumder, Rajat, et al.
Published: (2024)
eT 2.0: An efficient open-source molecular electronic structure program
by: Folkestad, Sarai Dery, et al.
Published: (2025)
by: Folkestad, Sarai Dery, et al.
Published: (2025)
Unveiling chiral electron-photon correlation effects in circularly polarized optical devices
by: Moutaoukal, Yassir El, et al.
Published: (2025)
by: Moutaoukal, Yassir El, et al.
Published: (2025)
Towards polaritonic molecular orbitals for large molecular systems
by: Moutaoukal, Yassir El, et al.
Published: (2024)
by: Moutaoukal, Yassir El, et al.
Published: (2024)
A comprehensive theory for relativistic polaritonic chemistry: a four components ab initio treatment of molecular systems coupled to quantum fields
by: Thiam, Guillaume, et al.
Published: (2024)
by: Thiam, Guillaume, et al.
Published: (2024)
Analytical evaluation of ground state gradients in quantum electrodynamics coupled cluster theory
by: Lexander, Marcus Takvam, et al.
Published: (2024)
by: Lexander, Marcus Takvam, et al.
Published: (2024)
Similar Items
-
An orthogonal electronic state view on charge delocalization and transfer
by: Folkestad, Sarai Dery, et al.
Published: (2025) -
X-ray Absorption Spectra for Aqueous Ammonia and Ammonium: Quantum Mechanical versus Molecular Mechanical Embedding Schemes
by: Folkestad, Sarai Dery, et al.
Published: (2024) -
The role of charge resonances in the benzene dimer
by: Balbi, Alice, et al.
Published: (2025) -
Similarity Constrained CC2 for Efficient Coupled Cluster Nonadiabatic Dynamics
by: Stoll, Leo, et al.
Published: (2025) -
Analytic Gradients of Approximate Coupled Cluster Methods with Quadruple Excitations
by: Matthews, Devin A.
Published: (2020)