Explicitly correlated Gaussian functions with shifted-center and projection techniques in pre-Born-Oppenheimer calculations
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Author / Producer
Date
2018-11-14
Publication Type
Journal Article
ETH Bibliography
yes
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Publication status
published
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Journal / series
Volume
149 (18)
Pages / Article No.
184105
Publisher
American Institute of Physics
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Organisational unit
03736 - Reiher, Markus / Reiher, Markus
Notes
Funding
169120 - Development of quantum chemical methods for the calculation of structures, energetics and spectroscopy of transition metal complexes (SNF)