Doping effects on the geometric and electronic structure of tin clusters

Martin Gleditzsch; Marc Jaeger; Lukas F. Pasteka; Armin Shayeghi; Rolf Schaefer

doi:10.1039/c9cp05124d

Doping effects on the geometric and electronic structure of tin clusters

Martin Gleditzsch (Corresponding author)
, Marc Jaeger
, Lukas F. Pasteka
, Armin Shayeghi
, Rolf Schaefer

Quantum Science

Publications: Contribution to journal › Article › Peer Reviewed

Original language	English
Pages (from-to)	24478-24488
Number of pages	11
Journal	Physical Chemistry Chemical Physics
Volume	21
Issue number	44
DOIs	https://doi.org/10.1039/c9cp05124d
Publication status	Published - 28 Nov 2019

Funding

We acknowledge financial support by the DFG (SCHA 885/15-1). The calculations reported here were performed on the Lichtenberg high performance computer of the TU Darmstadt, the Biby cluster resources48 and the HPC cluster Peregrine of the Center for Information Technology, University of Groningen. L. F. P. acknowledges the support from the Slovak Research and Development Agency (APVV-15-0105). A. S. acknowledges funding by the Austrian Science Fund (FWF) within the Lise-Meitner fellowship M 2364. M. J. acknowledges the Merck'sche Gesellschaft fur Kunst und Wissenschaft e.V. for a scholarship. We are thankful to G. G. Rondina for useful discussions and technical support.

Austrian Fields of Science 2012

103025 Quantum mechanics
104017 Physical chemistry

Keywords

GENERALIZED GRADIENT APPROXIMATION
CONSISTENT BASIS-SETS
CONVERGENT BASIS-SETS
BEAM DEFLECTION
QUADRUPLE-ZETA
TRIPLE-ZETA
PSEUDOPOTENTIALS
TEMPERATURE
TRANSITION
GROUP-11

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10.1039/c9cp05124d

Cite this

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title = "Doping effects on the geometric and electronic structure of tin clusters",

keywords = "GENERALIZED GRADIENT APPROXIMATION, CONSISTENT BASIS-SETS, CONVERGENT BASIS-SETS, BEAM DEFLECTION, QUADRUPLE-ZETA, TRIPLE-ZETA, PSEUDOPOTENTIALS, TEMPERATURE, TRANSITION, GROUP-11",

author = "Martin Gleditzsch and Marc Jaeger and Pasteka, \{Lukas F.\} and Armin Shayeghi and Rolf Schaefer",

year = "2019",

month = nov,

day = "28",

doi = "10.1039/c9cp05124d",

language = "English",

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AU - Gleditzsch, Martin

AU - Jaeger, Marc

AU - Pasteka, Lukas F.

AU - Shayeghi, Armin

AU - Schaefer, Rolf

PY - 2019/11/28

Y1 - 2019/11/28

KW - GENERALIZED GRADIENT APPROXIMATION

KW - CONSISTENT BASIS-SETS

KW - CONVERGENT BASIS-SETS

KW - BEAM DEFLECTION

KW - QUADRUPLE-ZETA

KW - TRIPLE-ZETA

KW - PSEUDOPOTENTIALS

KW - TEMPERATURE

KW - TRANSITION

KW - GROUP-11

UR - https://www.scopus.com/pages/publications/85075102621

U2 - 10.1039/c9cp05124d

DO - 10.1039/c9cp05124d

M3 - Article

SN - 1463-9076

VL - 21

SP - 24478

EP - 24488

JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

IS - 44

ER -

Doping effects on the geometric and electronic structure of tin clusters

Funding

Austrian Fields of Science 2012

Keywords

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QUAOS: Quantum-Assisted Optical Spectroscopy

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Doping effects on the geometric and electronic structure of tin clusters

Funding

Austrian Fields of Science 2012

Keywords

Access to Document

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Fingerprint

Projects

QUAOS: Quantum-Assisted Optical Spectroscopy

Cite this