Gunnar Schmitz

5PUBLICATIONS
5CO-AUTHORS
Chemical and thermal processes in energy and combustionElectrical and electromagnetic methods in geophysicsRadiation and matterTheoretical quantum chemistryCondensed matter modelling and density functional theory
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Publications (5)

|Jul 10, 2023
Gaussian process regression adaptive density-guided approach: Toward calculations of potential energy surfaces for larger molecules.

Denis G Artiukhin, Ian H Godtliebsen, Gunnar Schmitz

|Nov 16, 2022
Adaptive regularized Gaussian process regression for application in the context of hydrogen adsorption on graphene sheets.

Gunnar Schmitz, Bastian Schnieder

|Oct 19, 2017
Combining Accuracy and Efficiency: An Incremental Focal-Point Method Based on Pair Natural Orbitals.

Benjamin Fiedler, Gunnar Schmitz, Christof Hättig

|Jul 08, 2017
Accuracy of Frequencies Obtained with the Aid of Explicitly Correlated Wave Function Based Methods.

Gunnar Schmitz, Ove Christiansen

|May 18, 2017
Accuracy of Explicitly Correlated Local PNO-CCSD(T).

Gunnar Schmitz, Christof Hättig

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Frequent Collaborators

2 joint publications

Christof Hättig

1 joint publications

Benjamin Fiedler

1 joint publications

Denis G Artiukhin

1 joint publications

Ian H Godtliebsen