The effects of experimentally obtained electron correlation and polarization on electron densities and exchange-correlation potentials
Article
Hupf, Emanuel
, Kleemiss, Florian , Borrmann, Tobias, Pal, Rumpa, Krzeszczakowska, Joanna M. , Woińska, Magdalena , Jayatilaka, Dylan , Genoni, Alessandro and Grabowsky, Simon
(2023)
The effects of experimentally obtained electron correlation and polarization on electron densities and exchange-correlation potentials.
The Journal of Chemical Physics 158 (12).
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| Item type | Article | ||||
| Journal or Publication Title | The Journal of Chemical Physics | ||||
| Publisher | AIP Publishing | ||||
| Place of Publication | MELVILLE | ||||
| Volume | 158 | ||||
| Number of Issue or Book Chapter | 12 | ||||
| Date | 2023 | ||||
| Date of publication | 18 Mar 2025 10:10 | ||||
| Institutions | Chemistry and Pharmacy > Central Analytical Services | ||||
| Identification Number |
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| Keywords | X-RAY-DIFFRACTION; WAVE-FUNCTIONS; CHARGE-DENSITY; TOPOLOGICAL PROPERTIES; CORRELATION FUNCTIONALS; REFINEMENT STRATEGIES; DISTRIBUTIONS; MOLECULE; BOND; APPROXIMATION | ||||
| Dewey Decimal Classification | 500 Science > 540 Chemistry & allied sciences | ||||
| Status | Published | ||||
| Refereed | Yes, this version has been refereed | ||||
| Created at the University of Regensburg | Yes | ||||
| Item ID | 76141 |
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