Hutter J - Search Results

1

A variational formulation of the Harris functional as a correction to approximate Kohn-Sham density functional theory.

Belleflamme F, Hehn AS, Iannuzzi M, Hutter J. Belleflamme F, et al. Among authors: hutter j. J Chem Phys. 2023 Feb 7;158(5):054111. doi: 10.1063/5.0122671. J Chem Phys. 2023. PMID: 36754794 Free article.

2

Inner-shell spectroscopy by the Gaussian and augmented plane wave method.

Iannuzzi M, Hutter J. Iannuzzi M, et al. Among authors: hutter j. Phys Chem Chem Phys. 2007 Apr 7;9(13):1599-610. doi: 10.1039/b615522g. Epub 2007 Feb 16. Phys Chem Chem Phys. 2007. PMID: 17429553 Free article.

3

Towards a rational design of ruthenium CO2 hydrogenation catalysts by Ab initio metadynamics.

Urakawa A, Iannuzzi M, Hutter J, Baiker A. Urakawa A, et al. Among authors: hutter j. Chemistry. 2007;13(24):6828-40. doi: 10.1002/chem.200700254. Chemistry. 2007. PMID: 17566132 Free article.

4

Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phases.

VandeVondele J, Hutter J. VandeVondele J, et al. Among authors: hutter j. J Chem Phys. 2007 Sep 21;127(11):114105. doi: 10.1063/1.2770708. J Chem Phys. 2007. PMID: 17887826 Free article.

5

Direct energy functional minimization under orthogonality constraints.

Weber V, VandeVondele J, Hutter J, Niklasson AM. Weber V, et al. Among authors: hutter j. J Chem Phys. 2008 Feb 28;128(8):084113. doi: 10.1063/1.2841077. J Chem Phys. 2008. PMID: 18315039 Free article.

6

Ab initio molecular dynamics using hybrid density functionals.

Guidon M, Schiffmann F, Hutter J, VandeVondele J. Guidon M, et al. Among authors: hutter j. J Chem Phys. 2008 Jun 7;128(21):214104. doi: 10.1063/1.2931945. J Chem Phys. 2008. PMID: 18537412 Free article.

7

Notes on "Ewald summation of electrostatic multipole interactions up to quadrupolar level" [J. Chem. Phys. 119, 7471 (2003)].

Laino T, Hutter J. Laino T, et al. Among authors: hutter j. J Chem Phys. 2008 Aug 21;129(7):074102. doi: 10.1063/1.2970887. J Chem Phys. 2008. PMID: 19044755 Free article.

8

Magnetic linear response properties calculations with the Gaussian and augmented-plane-wave method.

Weber V, Iannuzzi M, Giani S, Hutter J, Declerck R, Waroquier M. Weber V, et al. Among authors: hutter j. J Chem Phys. 2009 Jul 7;131(1):014106. doi: 10.1063/1.3156803. J Chem Phys. 2009. PMID: 19586095 Free article.

9

Nano-ice on boron nitride nanomesh: accessing proton disorder.

Ma H, Brugger T, Berner S, Ding Y, Iannuzzi M, Hutter J, Osterwalder J, Greber T. Ma H, et al. Among authors: hutter j. Chemphyschem. 2010 Feb 1;11(2):399-403. doi: 10.1002/cphc.200900857. Chemphyschem. 2010. PMID: 20024977

10

Nanotexture switching of single-layer hexagonal boron nitride on rhodium by intercalation of hydrogen atoms.

Brugger T, Ma H, Iannuzzi M, Berner S, Winkler A, Hutter J, Osterwalder J, Greber T. Brugger T, et al. Among authors: hutter j. Angew Chem Int Ed Engl. 2010 Aug 16;49(35):6120-4. doi: 10.1002/anie.201001064. Angew Chem Int Ed Engl. 2010. PMID: 20632336 No abstract available.

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