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Stopkowicz, Stella
64  Ergebnisse:
Personensuche X
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1

Cholesky Decomposition-Based Implementation of Relativistic..:

Zhang, Chaoqun ; Lipparini, Filippo ; Stopkowicz, Stella..
Journal of Chemical Theory and Computation.  , 2024
Link: https://doi.org/10.1021/..
 
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2

Theoretical prediction of closed‐shell paramagnetism for sc..:

Grazioli, Laura ; Schleicher, Luca T. ; Stopkowicz, Stella.
Journal of Computational Chemistry.  45 (2024)  15 - p. 1215-1223 , 2024
Link: https://doi.org/10.1002/..
 
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3

Magnetic optical rotation from real-time simulations in fin..:

Ofstad, Benedicte Sverdrup ; Wibowo-Teale, Meilani ; Kristiansen, Håkon Emil...
The Journal of Chemical Physics.  159 (2023)  20 - p. , 2023
Link: https://doi.org/10.1063/..
 
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4

Another Torture Track for Quantum Chemistry: Reinvestigatio..:

Verplancke, Hendrik ; Diefenbach, Martin ; Lienert, Jonas N....
Israel Journal of Chemistry.  63 (2023)  7-8 - p. , 2023
Link: https://doi.org/10.1002/..
 
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5

Cholesky decomposition of two-electron integrals in quantum..:

Gauss, Jürgen ; Blaschke, Simon ; Burger, Sophia...
Molecular Physics.  121 (2022)  11-12 - p. , 2022
Link: https://doi.org/10.1080/..
 
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6

Computation of NMR shieldings at the CASSCF level using gau..:

Nottoli, Tommaso ; Burger, Sophia ; Stopkowicz, Stella..
The Journal of Chemical Physics.  157 (2022)  8 - p. , 2022
Link: https://doi.org/10.1063/..
 
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7

Cholesky decomposition of complex two-electron integrals ov..:

Blaschke, Simon ; Stopkowicz, Stella
The Journal of Chemical Physics.  156 (2022)  4 - p. , 2022
Link: https://doi.org/10.1063/..
 
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8

Spin contamination in MP2 and CC2, a surprising issue:

Kitsaras, Marios-Petros ; Stopkowicz, Stella
The Journal of Chemical Physics.  154 (2021)  13 - p. , 2021
Link: https://doi.org/10.1063/..
 
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9

Complex ground-state and excitation energies in coupled-clu..:

Thomas, Simon ; Hampe, Florian ; Stopkowicz, Stella.
Molecular Physics.  119 (2021)  21-22 - p. , 2021
Link: https://doi.org/10.1080/..
 
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10

NMR chemical shift computations at second-order Møller–Ples..:

Burger, Sophia ; Lipparini, Filippo ; Gauss, Jürgen.
The Journal of Chemical Physics.  155 (2021)  7 - p. , 2021
Link: https://doi.org/10.1063/..
 
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11

Full triples contribution in coupled-cluster and equation-o..:

Hampe, Florian ; Gross, Niklas ; Stopkowicz, Stella
Physical Chemistry Chemical Physics.  22 (2020)  41 - p. 23522-23529 , 2020
Link: https://doi.org/10.1039/..
 
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12

Coupled-cluster techniques for computational chemistry: The..:

Matthews, Devin A. ; Cheng, Lan ; Harding, Michael E....
The Journal of Chemical Physics.  152 (2020)  21 - p. , 2020
Link: https://doi.org/10.1063/..
 
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13

Foreword: Prof. Gauss Festschrift:

Eriksen, Janus J. ; Stopkowicz, Stella ; Jagau, Thomas-C..
Molecular Physics.  118 (2020)  19-20 - p. e1817247 , 2020
Link: https://doi.org/10.1080/..
 
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14

GW quasiparticle energies of atoms in strong magnetic field:

Holzer, Christof ; Teale, Andrew M. ; Hampe, Florian...
The Journal of Chemical Physics.  150 (2019)  21 - p. , 2019
Link: https://doi.org/10.1063/..
 
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15

Erratum: "GW quasiparticle energies of atoms in strong magn..:

Holzer, Christof ; Teale, Andrew M. ; Hampe, Florian...
The Journal of Chemical Physics.  151 (2019)  6 - p. , 2019
Link: https://doi.org/10.1063/..
 
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