He-DFT

Academic Journals

1. Wolfgang E. Ernst, Andreas W. Hauser. Metal clusters synthesized in helium droplets: structure and dynamics from experiment and theory. Physical Chemistry Chemical Physics, 23(13):7553-7574, 2020.
2. Bernhard Thaler, Ralf Meyer, Pascal Heim, Sascha Ranftl, Johann V. Pototschnig, Andreas W. Hauser, Markus Koch, Wolfgang E. Ernst. Conservation of Hot Thermal Spin–Orbit Population of 2P Atoms in a Cold Quantum Fluid Environment. The Journal of Physical Chemistry A, 123(18):3977-3984, 2019. download
3. Johann V. Pototschnig, Florian Lackner, Andreas W. Hauser, Wolfgang E. Ernst. Rydberg states of alkali atoms on superfluid helium nanodroplets: inside or outside?. Physical Chemistry Chemical Physics, 19(22):14718-14728, 2017. download
4. Andreas W. Hauser, Alexander O. Mitrushchenkov, María Pilar de Lara-Castells. Quantum Nuclear Motion of Helium and Molecular Nitrogen Clusters in Carbon Nanotubes. The Journal of Physical Chemistry C, 121(7):3807-3821, 2017. download
5. Andreas W. Hauser, María Pilar de Lara-Castells. Spatial quenching of a molecular charge-transfer process in a quantum fluid: the Cs x –C 60 reaction in superfluid helium nanodroplets. Physical Chemistry Chemical Physics, 19(2):1342-1351, 2016. download
6. Michael Renzler, Matthias Daxner, Lorenz Kranabetter, Alexander Kaiser, Andreas W. Hauser, Wolfgang E. Ernst, Albrecht Lindinger, Robert Zillich, Paul Scheier, Andrew M. Ellis. Communication: Dopant-induced solvation of alkalis in liquid helium nanodroplets. The Journal of Chemical Physics, 145(18), 2016. download
7. Andreas W. Hauser, María Pilar de Lara-Castells. Carbon Nanotubes Immersed in Superfluid Helium: The Impact of Quantum Confinement on Wetting and Capillary Action. The Journal of Physical Chemistry Letters, 7(23):4929-4935, 2016. download
8. Andreas W. Hauser, Alexander Volk, Philipp Thaler, Wolfgang E. Ernst. Atomic collisions in suprafluid helium-nanodroplets: timescales for metal-cluster formation derived from He-density functional theory. Physical Chemistry Chemical Physics, 17(16):10805-10812, 2015. download
9. Martin Ratschek, Johann V. Pototschnig, Andreas W. Hauser, Wolfgang E. Ernst. Solvation and Spectral Line Shifts of Chromium Atoms in Helium Droplets Based on a Density Functional Theory Approach. The Journal of Physical Chemistry A, 118(33):6622-6631, 2014. download
10. Andreas W. Hauser, Thomas Gruber, Michael Filatov, Wolfgang E. Ernst. Shifts in the ESR Spectra of Alkali–Metal Atoms (Li, Na, K, Rb) on Helium Nanodroplets. ChemPhysChem, 14(4):716-722, 2013. download
11. Johannes Poms, Andreas W. Hauser, Wolfgang E. Ernst. Helium nanodroplets doped with xenon and rubidium atoms: a case study of van der Waals interactions between heliophilic and heliophobic dopants. Physical Chemistry Chemical Physics, 14(43):15158-15165, 2012. download

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