A quantum chemical approach to dynamic properties of real materials

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Project Title (de) Projekttitel (de)
A quantum chemical approach to dynamic properties of real materials
 

Publications

Results 1-6 of 6 (Search time: 0.002 seconds).

PreviewAuthor(s)TitleTypeIssue Date
1Weiske, Hendrik ; Pecher, Lisa ; Gallo, Alejandro ; Irmler, Andreas ; Hummel, Felix ; Grüneis, Andreas ; Tonner-Zech, Ralf Adsorption energies on extended surfaces with CCSD(T) quality: ethylene on Si(001)Article Artikel 19-Dec-2025
2Schäfer, Tobias ; Irmler, Andreas ; Gallo, Alejandro ; Grüneis, Andreas Understanding discrepancies in noncovalent interaction energies from wavefunction theories for large moleculesArticle Artikel 14-Oct-2025
3Moerman, Evgeny ; Miranda, Henrique ; Gallo, Alejandro ; Irmler, Andreas ; Schäfer, Tobias ; Hummel, Felix ; Engel, Manuel ; Kresse, Georg ; Scheffler, Matthias ; Grüneis, Andreas Exploring the accuracy of the equation-of-motion coupled-cluster band gap of solidsArticle Artikel 15-Mar-2025
4Grüneis, Andreas Resolving shortcomings of CCSD(T) theory for metals and large moleculesPresentation Vortrag18-Oct-2024
5Grüneis, Andreas Shortcomings of perturbative coupled-cluster theories for metals and large moleculesPresentation Vortrag1-Aug-2024
6Grüneis, Andreas Towards chemical accuracy for metals: averting the infrared catastrophe in coupled-cluster theoryPresentation Vortrag19-Feb-2024