ERD

Toward Polaritonic Molecular Orbitals for Large Molecular Systems

Project: QuantumLight

Updated at: 01-01-2025

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Project acronym QuantumLight

Coupled Cluster Theory for Nonadiabatic Dynamics: Nuclear Gradients and Nonadiabatic Couplings in Similarity Constrained...

Project: QuantumLight

Updated at: 01-01-2025

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Project acronym QuantumLight

Theory of Magnetic Properties in Quantum Electrodynamics Environments: Application to Molecular Aromaticity

Project: QuantumLight

Updated at: 01-01-2025

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Project acronym QuantumLight

Analytical Evaluation of Ground State Gradients in Quantum Electrodynamics Coupled Cluster Theory

Project: QuantumLight

Updated at: 01-01-2025

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Project acronym QuantumLight

Prediction of photodynamics of 200 nm excited cyclobutanone with linear response electronic structure and ab initio mu...

Project: QuantumLight

Updated at: 01-12-2024

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Project acronym QuantumLight

Triplet Excited States with Multilevel Coupled Cluster Theory

Project: QuantumLight

Updated at: 01-12-2024

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Project acronym QuantumLight

Communication: Non-adiabatic derivative coupling elements for the coupled cluster singles and doubles model

Project: QuantumLight

Updated at: 01-12-2024

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Project acronym QuantumLight

On the characteristic features of ionization in QED environments

Project: QuantumLight

Updated at: 01-12-2024

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Project acronym QuantumLight

Molecular orbital theory in cavity QED environments

Project: QuantumLight

Updated at: 01-12-2024

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Project acronym QuantumLight

Effective Single-Mode Methodology for Strongly Coupled Multimode Molecular-Plasmon Nanosystems

Project: QuantumLight

Updated at: 01-12-2024

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Project acronym QuantumLight

Molecular van der Waals Fluids in Cavity Quantum Electrodynamics

Project: QuantumLight

Updated at: 01-12-2024

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Project acronym QuantumLight

Understanding X-ray absorption in liquid water using triple excitations in multilevel coupled cluster theory

Project: QuantumLight

Updated at: 01-12-2024

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Project acronym QuantumLight

Quantum Mechanical Versus Polarizable Embedding Schemes: A Study of the Xray Absorption Spectra of Aqueous Ammonia and A...

Project: QuantumLight

Updated at: 01-12-2024

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Project acronym QuantumLight

Strong Coupling to Circularly Polarized Photons: Toward Cavity-Induced Enantioselectivity

Project: QuantumLight

Updated at: 01-12-2024

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Project acronym QuantumLight

Collective Strong Coupling Modifies Aggregation and Solvation

Project: QuantumLight

Updated at: 01-12-2024

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Project acronym QuantumLight

Strong coupling electron-photon dynamics: A real-time investigation of energy redistribution in molecular polaritons

Project: QuantumLight

Updated at: 01-12-2024

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Project acronym QuantumLight

Time-Dependent Multilevel Density Functional Theory

Project: QuantumLight

Updated at: 01-12-2024

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Project acronym QuantumLight

Coupled cluster cavity Born–Oppenheimer approximation for electronic strong coupling

Project: QuantumLight

Updated at: 01-12-2024

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Project acronym QuantumLight

Polaritonic response theory for exact and approximate wave functions

Project: QuantumLight

Updated at: 01-12-2024

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Project acronym QuantumLight

Entanglement coupled cluster theory: Exact spin-adaptation

Project: QuantumLight

Updated at: 01-12-2024

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Project acronym QuantumLight

Understanding the polaritonic ground state in cavity quantum electrodynamics

Project: QuantumLight

Updated at: 01-12-2024

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Project acronym QuantumLight

Integrated Multiscale Multilevel Approach to Open Shell Molecular Systems

Project: QuantumLight

Updated at: 27-04-2024

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Project acronym QuantumLight

Implementation of Occupied and Virtual Edmiston-Ruedenberg Orbitals Using Cholesky Decomposed Integrals.

Project: QuantumLight

Updated at: 27-04-2024

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Project acronym QuantumLight

Strong Coupling in Chiral Cavities: Nonperturbative Framework for Enantiomer Discrimination

Project: QuantumLight

Updated at: 27-04-2024

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Project acronym QuantumLight

Resources

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Toward Polaritonic Molecular Orbitals for Large Molecular Systems

Coupled Cluster Theory for Nonadiabatic Dynamics: Nuclear Gradients and Nonadiabatic Couplings in Similarity Constrained...

Theory of Magnetic Properties in Quantum Electrodynamics Environments: Application to Molecular Aromaticity

Analytical Evaluation of Ground State Gradients in Quantum Electrodynamics Coupled Cluster Theory

Prediction of photodynamics of 200 nm excited cyclobutanone with linear response electronic structure and ab initio mu...

Triplet Excited States with Multilevel Coupled Cluster Theory

Communication: Non-adiabatic derivative coupling elements for the coupled cluster singles and doubles model

On the characteristic features of ionization in QED environments

Molecular orbital theory in cavity QED environments

Effective Single-Mode Methodology for Strongly Coupled Multimode Molecular-Plasmon Nanosystems

Molecular van der Waals Fluids in Cavity Quantum Electrodynamics

Understanding X-ray absorption in liquid water using triple excitations in multilevel coupled cluster theory

Quantum Mechanical Versus Polarizable Embedding Schemes: A Study of the Xray Absorption Spectra of Aqueous Ammonia and A...

Strong Coupling to Circularly Polarized Photons: Toward Cavity-Induced Enantioselectivity

Collective Strong Coupling Modifies Aggregation and Solvation

Strong coupling electron-photon dynamics: A real-time investigation of energy redistribution in molecular polaritons

Time-Dependent Multilevel Density Functional Theory

Coupled cluster cavity Born–Oppenheimer approximation for electronic strong coupling

Polaritonic response theory for exact and approximate wave functions

Entanglement coupled cluster theory: Exact spin-adaptation

Understanding the polaritonic ground state in cavity quantum electrodynamics

Integrated Multiscale Multilevel Approach to Open Shell Molecular Systems

Implementation of Occupied and Virtual Edmiston-Ruedenberg Orbitals Using Cholesky Decomposed Integrals.

Strong Coupling in Chiral Cavities: Nonperturbative Framework for Enantiomer Discrimination