ERD

Periodic Reporting for period 3 - T-CUBE (Theoretical Chemistry of Unbound Electrons)

Project: T-CUBE

Updated at: 01-08-2025

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Project acronym T-CUBE

Interatomic and intermolecular Coulombic decay rates from equation-of-motion coupled-cluster theory with complex basis f...

Project: T-CUBE

Updated at: 01-08-2025

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Project acronym T-CUBE

Analytic Evaluation of Nonadiabatic Couplings within the Complex Absorbing Potential Equation-of-Motion Coupled-Cluster ...

Project: T-CUBE

Updated at: 01-08-2025

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Project acronym T-CUBE

Dissociative Electron Attachment on Metal Surfaces: The Case of HCl– on Au(111)

Project: T-CUBE

Updated at: 01-08-2025

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Project acronym T-CUBE

Computing Decay Widths of Autoionizing Rydberg States with Complex-Variable Coupled-Cluster Theory

Project: T-CUBE

Updated at: 01-08-2025

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Project acronym T-CUBE

New variants of the second-order approximate coupled-cluster singles and doubles method

Project: T-CUBE

Updated at: 01-08-2025

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Project acronym T-CUBE

Environment effects on electronic excitation, ionization and electron attachment

Project: T-CUBE

Updated at: 01-08-2025

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Project acronym T-CUBE

Combining Extrapolated Electron Localization Functions and Berlin’s Binding Functions for the Prediction of Dissociati...

Project: T-CUBE

Updated at: 01-08-2025

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Project acronym T-CUBE

Partial Auger Decay Widths from Complex-Valued Density Matrices

Project: T-CUBE

Updated at: 01-08-2025

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Project acronym T-CUBE

Coupled-cluster treatment of complex open-shell systems: the case of single-molecule magnets

Project: T-CUBE

Updated at: 01-08-2025

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Project acronym T-CUBE

Ab initio treatment of molecular Coster–Kronig decay using complex-scaled equation-of-motion coupled-cluster th...

Project: T-CUBE

Updated at: 01-08-2025

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Project acronym T-CUBE

On the performance of second-order approximate coupled-cluster singles and doubles methods for non-valence anions

Project: T-CUBE

Updated at: 01-08-2025

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Project acronym T-CUBE

A New Strategy to Optimize Complex Absorbing Potentials for the Computation of Resonance Energies and Widths

Project: T-CUBE

Updated at: 01-08-2025

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Project acronym T-CUBE

Signatures of s-wave scattering in bound electronic states

Project: T-CUBE

Updated at: 01-08-2025

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Project acronym T-CUBE

Ab Initio Computation of Auger Decay in Heavy Metals: Zinc about It

Project: T-CUBE

Updated at: 01-08-2025

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Project acronym T-CUBE

Theoretical treatment of Auger decay and related processes with non-Hermitian quantum chemistry

Project: T-CUBE

Updated at: 01-08-2025

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Project acronym T-CUBE

Ab Initio Investigation of the Auger Spectra of Methane, Ethane, Ethylene, and Acetylene

Project: T-CUBE

Updated at: 01-08-2025

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Project acronym T-CUBE

Resonant Auger Decay in Benzene

Project: T-CUBE

Updated at: 01-08-2025

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Project acronym T-CUBE

Embedded equation-of-motion coupled-cluster theory for electronic excitation, ionisation, electron attachment, and elect...

Project: T-CUBE

Updated at: 27-04-2024

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Project acronym T-CUBE

Photocatalyzed Transition-Metal-Free Oxidative Cross-Coupling Reactions of Tetraorganoborates*.

Project: T-CUBE

Updated at: 27-04-2024

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Project acronym T-CUBE

Water-assisted electron capture exceeds photorecombination in biological conditions

Project: T-CUBE

Updated at: 27-04-2024

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Project acronym T-CUBE

Computational insights into electrochemical cross‐coupling of quaternary borate salts

Project: T-CUBE

Updated at: 27-04-2024

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Project acronym T-CUBE

Molecular Auger Decay Rates from Complex-Variable Coupled-Cluster Theory

Project: T-CUBE

Updated at: 27-04-2024

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Project acronym T-CUBE

Theory of electronic resonances: fundamental aspects and recent advances

Project: T-CUBE

Updated at: 27-04-2024

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Project acronym T-CUBE

The Auger spectrum of benzene

Project: T-CUBE

Updated at: 27-04-2024

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Project acronym T-CUBE

Conceptual density functional theory for temporary anions stabilized by scaled nuclear charges

Project: T-CUBE

Updated at: 27-04-2024

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Project acronym T-CUBE

Elektronische Resonanzzustände – warum die Energie komplex sein kann, Trendbericht Theoretische Chemie 2020, Teil 1

Project: T-CUBE

Updated at: 27-04-2024

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Project acronym T-CUBE

Embedded equation-of-motion coupled-cluster theory for electronic excitation, ionisation, electron attachment, and elect...

Project: T-CUBE

Updated at: 27-04-2024

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Project acronym T-CUBE

A spin-flip variant of the second-order approximate coupled-cluster singles and doubles method

Project: T-CUBE

Updated at: 27-04-2024

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Project acronym T-CUBE

Water-assisted electron capture exceeds photorecombination in biological conditions

Project: T-CUBE

Updated at: 27-04-2024

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Project acronym T-CUBE

Resources

Periodic Reporting for period 3 - T-CUBE (Theoretical Chemistry of Unbound Electrons)

Interatomic and intermolecular Coulombic decay rates from equation-of-motion coupled-cluster theory with complex basis f...

Analytic Evaluation of Nonadiabatic Couplings within the Complex Absorbing Potential Equation-of-Motion Coupled-Cluster ...

Dissociative Electron Attachment on Metal Surfaces: The Case of HCl<sup>–</sup> on Au(111)

Computing Decay Widths of Autoionizing Rydberg States with Complex-Variable Coupled-Cluster Theory

New variants of the second-order approximate coupled-cluster singles and doubles method

Environment effects on electronic excitation, ionization and electron attachment

Combining Extrapolated Electron Localization Functions and Berlin’s Binding Functions for the Prediction of Dissociati...

Partial Auger Decay Widths from Complex-Valued Density Matrices

Coupled-cluster treatment of complex open-shell systems: the case of single-molecule magnets

<i>Ab initio</i> treatment of molecular Coster–Kronig decay using complex-scaled equation-of-motion coupled-cluster th...

On the performance of second-order approximate coupled-cluster singles and doubles methods for non-valence anions

A New Strategy to Optimize Complex Absorbing Potentials for the Computation of Resonance Energies and Widths

Signatures of s-wave scattering in bound electronic states

<i>Ab Initio</i> Computation of Auger Decay in Heavy Metals: Zinc about It

Theoretical treatment of Auger decay and related processes with non-Hermitian quantum chemistry

Ab Initio Investigation of the Auger Spectra of Methane, Ethane, Ethylene, and Acetylene

Resonant Auger Decay in Benzene

Embedded equation-of-motion coupled-cluster theory for electronic excitation, ionisation, electron attachment, and elect...

Photocatalyzed Transition-Metal-Free Oxidative Cross-Coupling Reactions of Tetraorganoborates*.

Water-assisted electron capture exceeds photorecombination in biological conditions

Computational insights into electrochemical cross‐coupling of quaternary borate salts

Molecular Auger Decay Rates from Complex-Variable Coupled-Cluster Theory

Theory of electronic resonances: fundamental aspects and recent advances

The Auger spectrum of benzene

Conceptual density functional theory for temporary anions stabilized by scaled nuclear charges

Elektronische Resonanzzustände – warum die Energie komplex sein kann, Trendbericht Theoretische Chemie 2020, Teil 1

Embedded equation-of-motion coupled-cluster theory for electronic excitation, ionisation, electron attachment, and elect...

A spin-flip variant of the second-order approximate coupled-cluster singles and doubles method

Water-assisted electron capture exceeds photorecombination in biological conditions