Andreas Hauser

Assoc.Prof. Mag.phil. Dipl.-Ing. Dr.phil. Dr.techn.

19952020
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Research Output 2005 2019

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2019

Conservation of Hot Thermal Spin-Orbit Population of 2 P Atoms in a Cold Quantum Fluid Environment

Thaler, B., Meyer, R., Heim, P., Ranftl, S., Pototschnig, J. V., Hauser, A. W., Koch, M. & Ernst, W. E., 9 May 2019, In : Journal of Physical Chemistry A. 123, 18, p. 3977-3984 8 p.

Research output: Contribution to journalArticleResearchpeer-review

Helium
Ground state
conservation
Conservation
Orbits

Vanadium(V) oxide clusters synthesized by sublimation from bulk under fully inert conditions

Lasserus, M., Schnedlitz, M., Messner, R., Lackner, F., Ernst, W. E. & Hauser, A. W., 28 Mar 2019, In : Chemical science. 10, 12, p. 3473-3480 8 p.

Research output: Contribution to journalArticleResearchpeer-review

Vanadium
Sublimation
Oxides
Nanoparticles
Metals
2018

Chiral Separation via Molecular Sieving: A Computational Screening of Suitable Functionalizations for Nanoporous Graphene

Fruehwirth, S. M., Meyer, R. & Hauser, A. W., 18 Sep 2018, In : ChemPhysChem. 19, 18, p. 2331-2339 9 p.

Research output: Contribution to journalArticleResearchpeer-review

Graphite
Density functional theory
Screening
graphene
screening

Femtosecond photoexcitation dynamics inside a quantum solvent

Thaler, B., Ranftl, S., Heim, P., Cesnik, S., Treiber, L., Meyer, R., Hauser, A. W., Ernst, W. E. & Koch, M., 1 Dec 2018, In : Nature Communications. 9, 1, 4006.

Research output: Contribution to journalArticleResearchpeer-review

Helium
Photoexcitation
photoexcitation
Solvation
solvation
Catalysis
Nanoparticles
Shells (structures)
Transmission electron microscopy
Cooling
2017

Ab Initio Confirmation of a Harpoon-Type Electron Transfer in a Helium Droplet

De Lara-Castells, M. P., Hauser, A. W. & Mitrushchenkov, A. O., 7 Sep 2017, In : Journal of Physical Chemistry Letters. 8, 17, p. 4284-4288 5 p.

Research output: Contribution to journalArticleResearchpeer-review

Helium
Superfluid helium
Electrons
Molecules
Ionization

A coarse-grained Monte Carlo approach to diffusion processes in metallic nanoparticles

Hauser, A. W., Schnedlitz, M. & Ernst, W. E., 1 Jun 2017, In : The European physical journal / D. 71, 6, 150.

Research output: Contribution to journalArticleResearchpeer-review

surface diffusion
nanoparticles
cellular automata
imaging techniques
wetting

Quantum confinement of molecular deuterium clusters in carbon nanotubes:: Ab initio evidence for hexagonal close packing

De Lara-Castells, M. P., Hauser, A. W., Mitrushchenkov, A. O. & Fernández-Perea, R., 2017, In : Physical Chemistry Chemical Physics. 19, 42, p. 28621-28629 9 p.

Research output: Contribution to journalArticleResearchpeer-review

Carbon Nanotubes
Quantum confinement
Deuterium
deuterium
carbon nanotubes

Quantum Nuclear Motion of Helium and Molecular Nitrogen Clusters in Carbon Nanotubes

Hauser, A. W., Mitrushchenkov, A. O. & De Lara-Castells, M. P., 23 Feb 2017, In : Journal of Physical Chemistry C. 121, 7, p. 3807-3821 15 p.

Research output: Contribution to journalArticleResearchpeer-review

Helium
Carbon Nanotubes
Density functional theory
Carbon nanotubes
Nitrogen

Rydberg states of alkali atoms on superfluid helium nanodroplets: Inside or outside?

Pototschnig, J. V., Lackner, F., Hauser, A. W. & Ernst, W. E., 16 May 2017, In : Physical chemistry, chemical physics. 19, 22, p. 14718-14728 11 p.

Research output: Contribution to journalArticleResearchpeer-review

Rydberg states
Superfluid helium
Alkalies
alkalies
helium

Spatial quenching of a molecular charge-transfer process in a quantum fluid: the Csx-C60 reaction in superfluid helium nanodroplets

Hauser, A. & de Lara-Castells, M. P., 2017, In : Physical chemistry, chemical physics. 19, p. 1342-1351 10 p.

Research output: Contribution to journalArticleResearchpeer-review

Thermally induced breakup of metallic nanowires: Experiment and theory

Schnedlitz, M., Lasserus, M., Knez, D., Hauser, A. W., Hofer, F. & Ernst, W. E., 2017, In : Physical chemistry, chemical physics. 19, 14, p. 9402-9408 7 p.

Research output: Contribution to journalArticleResearchpeer-review

Nanowires
nanowires
wire
Wire
Superfluid helium
alkaline earth metals
alkali metals
excitation
molecules
ground state
2016

A systematic study on Pt based, subnanometer-sized alloy cluster catalysts for alkane dehydrogenation: Effects of intermetallic interaction

Hauser, A., Horn, P. R., Head-Gordon, M. & Bell, A. T., 28 Apr 2016, In : Physical chemistry, chemical physics. 18, 16, p. 10906-10917 12 p.

Research output: Contribution to journalArticleResearchpeer-review

Propane
Alkanes
Catalyst selectivity
Dehydrogenation
dehydrogenation

Carbon Nanotubes Immersed in Superfluid Helium: The Impact of Quantum Confinement on Wetting and Capillary Action

Hauser, A. & De Lara-Castells, M. P., 1 Dec 2016, In : The journal of physical chemistry letters . 7, 23, p. 4929-4935 7 p.

Research output: Contribution to journalArticleResearchpeer-review

Superfluid helium
Helium
Carbon Nanotubes
Quantum confinement
wetting

Communication: Dopant-induced solvation of alkalis in liquid helium nanodroplets

Renzler, M., Daxner, M., Kranabetter, L., Kaiser, A., Hauser, A., Ernst, W. E., Lindinger, A., Zillich, R., Scheier, P. & Ellis, A. M., 2016, In : The journal of chemical physics. 145, 18, p. 181101-1 - 181101-4 5 p.

Research output: Contribution to journalArticleResearchpeer-review

Electric dipole moments and chemical bonding of diatomic alkali–alkaline earth molecules

Pototschnig, J. V., Hauser, A. & Ernst, W. E., 27 Jan 2016, In : Physical chemistry, chemical physics. 18, p. 5964-5973

Research output: Contribution to journalArticleResearchpeer-review

Open Access
Electric dipole moments
electric moments
electric dipoles
dipole moments
Earth (planet)

The impact of doping rates on the morphologies of silver and gold nanowires grown in helium nanodroplets

Volk, A., Thaler, P., Knez, D., Hauser, A., Steurer, J., Grogger, W., Hofer, F. & Ernst, W., 2016, In : Physical chemistry, chemical physics. 18, p. 1451-1459

Research output: Contribution to journalArticleResearchpeer-review

2015

A classic case of Jahn- Teller Effect Theory revisited: Ab initio simulation of hyperfine coupling and pseudorotational tunneling in the 12E′ state of Na3

Hauser, A., Pototschnig, J. V. & Ernst, W., 2015, In : Chemical physics. 460, p. 2-13

Research output: Contribution to journalArticleResearchpeer-review

Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

Shao, Y., Gan, Z., Epifanovsky, E., Gilbert, A. T. B., Wormit, M., Kussmann, J., Lange, A. W., Behn, A., Deng, J., Feng, X., Ghosh, D., Goldey, M., Horn, P. R., Jacobson, L. D., Kaliman, I., Khaliullin, R. Z., Kuś, T., Landau, A., Liu, J., Proynov, E. I. & 137 othersRhee, Y. M., Richard, R. M., Rohrdanz, M. A., Steele, R. P., Sundstrom, E. J., III, H. L. W., Zimmerman, P. M., Zuev, D., Albrecht, B., Alguire, E., Austin, B., Beran, G. J. O., Bernard, Y. A., Berquist, E., Brandhorst, K., Bravaya, K. B., Brown, S. T., Casanova, D., Chang, C-M., Chen, Y., Chien, S. H., Closser, K. D., Crittenden, D. L., Diedenhofen, M., Do, H., Dutoi, A. D., Edgar, R. G., Fatehi, S., Fusti-Molnar, L., Ghysels, A., Golubeva-Zadorozhnaya, A., Gomes, J., Hanson-Heine, M. W. D., Harbach, P. H. P., Hauser, A., Hohenstein, E. G., Holden, Z. C., Jagau, T-C., Ji, H., Kaduk, B., Khistyaev, K., Kim, J., Kim, J., King, R. A., Klunzinger, P., Kosenkov, D., Kowalczyk, T., Krauter, C. M., Lao, K. U., Laurent, A. D., Lawler, K. V., Levchenko, S. V., Lin, C. Y., Liu, F., Livshits, E., Lochan, R. C., Luenser, A., Manohar, P., Manzer, S. F., Mao, S-P., Mardirossian, N., Marenich, A. V., Maurer, S. A., Mayhall, N. J., Neuscamman, E., Oana, C. M., Olivares-Amaya, R., O’Neill, D. P., Parkhill, J. A., Perrine, T. M., Peverati, R., Prociuk, A., Rehn, D. R., Rosta, E., Russ, N. J., Sharada, S. M., Sharma, S., Small, D. W., Sodt, A., Stein, T., Stück, D., Su, Y-C., Thom, A. J. W., Tsuchimochi, T., Vanovschi, V., Vogt, L., Vydrov, O., Wang, T., Watson, M. A., Wenzel, J., White, A., Williams, C. F., Yang, J., Yeganeh, S., Yost, S. R., You, Z-Q., Zhang, I. Y., Zhang, X., Zhao, Y., Brooks, B. R., Chan, G. K. L., Chipman, D. M., Cramer, C. J., III, W. A. G., Gordon, M. S., Hehre, W. J., Klamt, A., III, H. F. S., Schmidt, M. W., Sherrill, C. D., Truhlar, D. G., Warshel, A., Xu, X., Aspuru-Guzik, A., Baer, R., Bell, A. T., Besley, N. A., Chai, J-D., Dreuw, A., Dunietz, B. D., Furlani, T. R., Gwaltney, S. R., Hsu, C-P., Jung, Y., Kong, J., Lambrecht, D. S., Liang, W., Ochsenfeld, C., Rassolov, V. A., Slipchenko, L. V., Subotnik, J. E., Voorhis, T. V., Herbert, J. M., Krylov, A. I., Gill, P. M. W., Head-Gordon, M. & DiStasio Jr., R. A., 2015, In : Molecular physics. 113, 2, p. 184-215 32 p.

Research output: Contribution to journalArticleResearchpeer-review

Atomic collisions in suprafluid helium-nanodroplets: Timescales for metal-cluster formation derived from He-density functional theory

Hauser, A., Volk, A., Thaler, P. & Ernst, W., 2015, In : Physical chemistry, chemical physics. 17, p. 10805-10812

Research output: Contribution to journalArticleResearchpeer-review

Ethane and propane dehydrogenation over PtIr/Mg(Al)O

Wu, J., Mallikarjun Sharada, S., Ho, C., Hauser, A., Head-Gordon, M. & Bell, A. T., 5 Oct 2015, In : Applied Catalysis / A. 506, p. 25-32 8 p.

Research output: Contribution to journalArticleResearchpeer-review

Propane
Ethane
Dehydrogenation
Catalysts
hydrotalcite

Thermal instabilities and Rayleigh breakup of ultrathin silver nanowires grown in helium nanodroplets

Volk, A., Knez, D., Thaler, P., Hauser, A., Grogger, W., Hofer, F. & Ernst, W., 2015, In : Physical chemistry, chemical physics. 17, p. 24570-24575

Research output: Contribution to journalArticleResearchpeer-review

2014

An ab initio study of the CrHe diatomic molecule: The effect of van der Waals distortion on a highly magnetic multi-electron system

Pototschnig, J. V., Ratschek, M., Hauser, A. & Ernst, W., 2014, In : Physical chemistry, chemical physics. 16, p. 9469-9478

Research output: Contribution to journalArticleResearchpeer-review

Functionalized graphene as a gatekeeper for chiral molecules: An alternative concept for chiral separation

Hauser, A., Mardirossian, N., Panetier, J. A., Head-Gordon, M., Bell, A. T. & Schwerdtfeger, P., 8 Sep 2014, In : Angewandte Chemie / International Edition . 53, 37, p. 9957-9960 4 p.

Research output: Contribution to journalArticleResearchpeer-review

Graphite
Enantiomers
Graphene
Density functional theory
Mirrors
2013

Shifts in the ESR spectra of alkali-metal atoms (Li, Na, K, Rb) on helium nanodroplets

Hauser, A., Gruber, T., Filatov, M. & Ernst, W., 2013, In : ChemPhysChem. 14, p. 716-722

Research output: Contribution to journalArticleResearchpeer-review

Subnanometer-sized Pt/Sn alloy cluster catalysts for the dehydrogenation of linear alkanes

Hauser, A., Gomes, J., Bajdich, M., Head-Gordon, M. & Bell, A. T., 21 Dec 2013, In : Physical chemistry, chemical physics. 15, 47, p. 20727-20734 8 p.

Research output: Contribution to journalArticleResearchpeer-review

Alkanes
Alkenes
Dehydrogenation
dehydrogenation
alkanes

Helium tunneling through nitrogen-functionalized graphene pores: Pressure- and temperature-driven approaches to isotope separation

Hauser, A., Schrier, J. & Schwerdtfeger, P., 17 May 2012, In : The journal of physical chemistry (Washington, DC) / C. 116, 19, p. 10819-10827 9 p.

Research output: Contribution to journalArticleResearchpeer-review

isotope separation
Helium
Graphite
Pore pressure
Isotopes

Methane-selective nanoporous graphene membranes for gas purification

Hauser, A. & Schwerdtfeger, P., 14 Oct 2012, In : Physical chemistry, chemical physics. 14, 38, p. 13292-13298 7 p.

Research output: Contribution to journalArticleResearchpeer-review

Gas fuel purification
Graphite
Methane
purification
graphene

Nanoporous graphene membranes for efficient 3He/ 4He separation

Hauser, A. & Schwerdtfeger, P., 19 Jan 2012, In : The journal of physical chemistry letters . 3, 2, p. 209-213 5 p.

Research output: Contribution to journalArticleResearchpeer-review

Graphite
Graphene
Gases
Membranes
Helium
2011

Effect of α variation on the vibrational spectrum of Sr 2

Beloy, K., Hauser, A., Borschevsky, A., Flambaum, V. V. & Schwerdtfeger, P., 21 Dec 2011, In : Physical review / A. 84, 6, 062114.

Research output: Contribution to journalArticleResearchpeer-review

vibrational spectra
molecules

Homo- and heteronuclear alkali metal trimers formed on helium nanodroplets: II. Femtosecond spectroscopy and spectra assignments

Giese, C., Stienkemeier, F., Mudrich, M., Hauser, A. & Ernst, W., 2011, In : Physical chemistry, chemical physics. 42, 13, p. 18769-18780

Research output: Contribution to journalArticleResearchpeer-review

Rotational spectrum of the molecular ion NH+ as a probe for α and me/mp variation

Beloy, K., Kozlov, M. G., Borschevsky, A., Hauser, A., Flambaum, V. V. & Schwerdtfeger, P., 30 Jun 2011, In : Physical review / A. 83, 6, 062514.

Research output: Contribution to journalArticleResearchpeer-review

rotational spectra
molecular ions
proximity
probes
interstellar space
2010

A Jahn-Teller analysis of K3 and Rb3 in the electronic states 12E´ and 12E´´

Hauser, A., Callegari, C., Soldán, P. & Ernst, W., 2010, In : Chemical physics. 375, p. 73-84

Research output: Contribution to journalArticleResearchpeer-review

Relativistic Jahn-Teller effects in the quartet states of K3 and Rb3: A vibronic analysis of the 2 4E ′ 1 4A 2′ electronic transitions based on ab initio calculations

Hauser, A. W., Auböck, G., Callegari, C. & Ernst, W. E., 28 Apr 2010, In : Journal of Chemical Physics. 132, 16, 164310.

Research output: Contribution to journalArticleResearchpeer-review

Jahn-Teller effect
Helium
Potential energy surfaces
Alkalies
trimers

Relativistic Jahn-Teller effects in the quartet states of K3 and Rb3: A vibronic analysis of the 24E´ - 14A2´ electronic transitions based on ab initio calculations

Hauser, A., Auböck, G., Callegari, C. & Ernst, W., 2010, In : The journal of chemical physics. 132, p. 164310-1-164310-11

Research output: Contribution to journalArticleResearchpeer-review

2008

Heteronuclear and Homonuclear High-Spin Alkali Trimers on Helium Nanodroplets

Nagl, J., Auböck, G., Hauser, A., Allard, O., Callegari, C. & Ernst, W., 2008, In : Physical Review Letters. 100, p. 063001-1-063001-4

Research output: Contribution to journalArticleResearchpeer-review

High-Spin Alkali Trimers on Helium Nandropolets-Spectral Separation an Analysis

Nagl, J., Auböck, G., Hauser, A., Allard, O., Callegari, C. & Ernst, W., 2008, In : The journal of chemical physics. 128, p. 154320-1-154320-8

Research output: Contribution to journalArticleResearchpeer-review

On the doublet states of the potassium trimer

Hauser, A., Callegari, C., Soldan, P. & Ernst, W., 2008, In : The journal of chemical physics. 129, p. 044307-1-044307-9

Research output: Contribution to journalArticleResearchpeer-review

2007

Optical Spectroscopy of Potassium-Doped Argon Clusters: Experiments and Quantum Chemistry Calculations

Nagl, J., Hauser, A., Auböck, G., Callegari, C. & Ernst, W., 2007, In : The journal of physical chemistry (Washington, DC) / A. 111, p. 12386-12397

Research output: Contribution to journalArticleResearchpeer-review