Andreas Grüneis

5PUBLICATIONS
6CO-AUTHORS
Colloid and surface chemistryRadiation and matterChemical thermodynamics and energeticsCondensed matter modelling and density functional theoryTheoretical quantum chemistry
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Publications (5)

|Jan 01, 2022
Surface science using coupled cluster theory via local Wannier functions and in-RPA-embedding: The case of water on graphitic carbon nitride.

Tobias Schäfer, Alejandro Gallo, Andreas Irmler

|Jul 09, 2021
Focal-point approach with pair-specific cusp correction for coupled-cluster theory.

Andreas Irmler, Alejandro Gallo, Andreas Grüneis

|Feb 16, 2021
A periodic equation-of-motion coupled-cluster implementation applied to F-centers in alkaline earth oxides.

Alejandro Gallo, Felix Hummel, Andreas Irmler

|Jan 08, 2021
Local embedding of coupled cluster theory into the random phase approximation using plane waves.

Tobias Schäfer, Florian Libisch, Georg Kresse

|Sep 16, 2019
Particle-particle ladder based basis-set corrections applied to atoms and molecules using coupled-cluster theory.

Andreas Irmler, Andreas Grüneis

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Frequent Collaborators

3 joint publications

Andreas Irmler

3 joint publications

Alejandro Gallo

2 joint publications

Tobias Schäfer

2 joint publications

Felix Hummel