ERD

Periodic Reporting for period 4 - CC4SOL (Towards chemical accuracy in computational materials science)

Project: CC4SOL

Updated at: 29-04-2024

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Project acronym CC4SOL

Surface science using coupled cluster theory via local Wannier functions and in-RPA-embedding: The case of water on grap...

Project: CC4SOL

Updated at: 27-04-2024

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Project acronym CC4SOL

A periodic equation-of-motion coupled-cluster implementation applied to F-centers in alkaline earth oxides.

Project: CC4SOL

Updated at: 27-04-2024

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Project acronym CC4SOL

A shortcut to the thermodynamic limit for quantum many-body calculations of metals

Project: CC4SOL

Updated at: 27-04-2024

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Project acronym CC4SOL

Physisorption of Water on Graphene: Subchemical Accuracy from Many-Body Electronic Structure Methods

Project: CC4SOL

Updated at: 27-04-2024

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Project acronym CC4SOL

Coupled cluster theory for the ground and excited states of two-dimensional quantum dots

Project: CC4SOL

Updated at: 27-04-2024

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Project acronym CC4SOL

Structural and electronic properties of solid molecular hydrogen from many-electron theories

Project: CC4SOL

Updated at: 27-04-2024

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Project acronym CC4SOL

Local embedding of coupled cluster theory into the random phase approximation using plane waves.

Project: CC4SOL

Updated at: 27-04-2024

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Project acronym CC4SOL

Averting the Infrared Catastrophe in the Gold Standard of Quantum Chemistry

Project: CC4SOL

Updated at: 27-04-2024

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Project acronym CC4SOL

Ab initio calculations of carbon and boron nitride allotropes and their structural phase transitions using periodic coup...

Project: CC4SOL

Updated at: 27-04-2024

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Project acronym CC4SOL

Reaction energetics of hydrogen on Si(100) surface: A periodic many-electron theory study

Project: CC4SOL

Updated at: 27-04-2024

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Project acronym CC4SOL

Particle-particle ladder based basis-set corrections applied to atoms and molecules using coupled-cluster theory

Project: CC4SOL

Updated at: 27-04-2024

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Project acronym CC4SOL

Coupled Cluster Theory in Materials Science

Project: CC4SOL

Updated at: 27-04-2024

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Project acronym CC4SOL

Focal-point approach with pair-specific cusp correction for coupled-cluster theory.

Project: CC4SOL

Updated at: 27-04-2024

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Project acronym CC4SOL

Formation energies of silicon self-interstitials using periodic coupled cluster theory

Project: CC4SOL

Updated at: 27-04-2024

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Project acronym CC4SOL

A comparative study using state-of-the-art electronic structure theories on solid hydrogen phases under high pressures

Project: CC4SOL

Updated at: 27-04-2024

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Project acronym CC4SOL

Duality of Ring and Ladder Diagrams and Its Importance for Many-Electron Perturbation Theories

Project: CC4SOL

Updated at: 27-04-2024

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Project acronym CC4SOL

Applying the Coupled-Cluster Ansatz to Solids and Surfaces in the Thermodynamic Limit

Project: CC4SOL

Updated at: 27-04-2024

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Project acronym CC4SOL

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Periodic Reporting for period 4 - CC4SOL (Towards chemical accuracy in computational materials science)

Surface science using coupled cluster theory via local Wannier functions and in-RPA-embedding: The case of water on grap...

A periodic equation-of-motion coupled-cluster implementation applied to F-centers in alkaline earth oxides.

A shortcut to the thermodynamic limit for quantum many-body calculations of metals

Physisorption of Water on Graphene: Subchemical Accuracy from Many-Body Electronic Structure Methods

Coupled cluster theory for the ground and excited states of two-dimensional quantum dots

Structural and electronic properties of solid molecular hydrogen from many-electron theories

Local embedding of coupled cluster theory into the random phase approximation using plane waves.

Averting the Infrared Catastrophe in the Gold Standard of Quantum Chemistry

Ab initio calculations of carbon and boron nitride allotropes and their structural phase transitions using periodic coup...

Reaction energetics of hydrogen on Si(100) surface: A periodic many-electron theory study

Particle-particle ladder based basis-set corrections applied to atoms and molecules using coupled-cluster theory

Coupled Cluster Theory in Materials Science

Focal-point approach with pair-specific cusp correction for coupled-cluster theory.

Formation energies of silicon self-interstitials using periodic coupled cluster theory

A comparative study using state-of-the-art electronic structure theories on solid hydrogen phases under high pressures

Duality of Ring and Ladder Diagrams and Its Importance for Many-Electron Perturbation Theories

Applying the Coupled-Cluster Ansatz to Solids and Surfaces in the Thermodynamic Limit