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Jagau, Thomas-C.
86  Ergebnisse:
Personensuche X
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1

Ab Initio Computation of Auger Decay in Heavy Metals: Zinc ..:

Ferino-Pérez, Anthuan ; Jagau, Thomas-C.
The Journal of Physical Chemistry A.  128 (2024)  20 - p. 3957-3967 , 2024
Link: https://doi.org/10.1021/..
 
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2

Coupled-cluster treatment of complex open-shell systems: th..:

Alessio, Maristella ; Paran, Garrette Pauley ; Utku, Cansu..
Physical Chemistry Chemical Physics.  26 (2024)  24 - p. 17028-17041 , 2024
Link: https://doi.org/10.1039/..
 
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3

Combining extrapolated electron localization functions and ..:

Titeca, Charlotte ; Jagau, Thomas-C. ; De Proft, Frank
The Journal of Chemical Physics.  160 (2024)  6 - p. , 2024
Link: https://doi.org/10.1063/..
 
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4

Signatures of s-wave scattering in bound electronic states:

Moorby, Robin E. ; Parravicini, Valentina ; Alessio, Maristella.
Physical Chemistry Chemical Physics.  26 (2024)  8 - p. 6532-6539 , 2024
Link: https://doi.org/10.1039/..
 
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5

Ab Initio Investigation of the Auger Spectra of Methane, Et..:

Matz, Florian ; Nijssen, Jonas ; Jagau, Thomas-C.
The Journal of Physical Chemistry A.  127 (2023)  30 - p. 6147-6158 , 2023
Link: https://doi.org/10.1021/..
 
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6

Interatomic and intermolecular Coulombic decay rates from e..:

Parravicini, Valentina ; Jagau, Thomas-C.
The Journal of Chemical Physics.  159 (2023)  9 - p. , 2023
Link: https://doi.org/10.1063/..
 
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7

Computing Decay Widths of Autoionizing Rydberg States with ..:

Creutzberg, Joel ; Skomorowski, Wojciech ; Jagau, Thomas-C.
The Journal of Physical Chemistry Letters.  14 (2023)  49 - p. 10943-10950 , 2023
Link: https://doi.org/10.1021/..
 
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8

The Auger spectrum of benzene:

Jayadev, Nayanthara K. ; Ferino-Pérez, Anthuan ; Matz, Florian..
The Journal of Chemical Physics.  158 (2023)  6 - p. , 2023
Link: https://doi.org/10.1063/..
 
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9

Analytic Evaluation of Nonadiabatic Couplings within the Co..:

Chatterjee, Koushik ; Koczor-Benda, Zsuzsanna ; Feng, Xintian..
Journal of Chemical Theory and Computation.  , 2023
Link: https://doi.org/10.1021/..
 
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10

Conceptual density functional theory for temporary anions s..:

Titeca, Charlotte ; De Proft, Frank ; Jagau, Thomas-C.
The Journal of Chemical Physics.  157 (2022)  21 - p. , 2022
Link: https://doi.org/10.1063/..
 
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11

Ab Initio Molecular Dynamics of Temporary Anions Using Comp..:

Gyamfi, Jerryman A. ; Jagau, Thomas-C.
The Journal of Physical Chemistry Letters.  13 (2022)  36 - p. 8477-8483 , 2022
Link: https://doi.org/10.1021/..
 
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12

Theory of electronic resonances: fundamental aspects and re..:

Jagau, Thomas-C.
Chemical Communications.  58 (2022)  34 - p. 5205-5224 , 2022
Link: https://doi.org/10.1039/..
 
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13

Molecular Auger decay rates from complex-variable coupled-c..:

Matz, Florian ; Jagau, Thomas-C.
The Journal of Chemical Physics.  156 (2022)  11 - p. , 2022
Link: https://doi.org/10.1063/..
 
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14

Embedded equation-of-motion coupled-cluster theory for elec..:

Parravicini, Valentina ; Jagau, Thomas-C.
Molecular Physics.  119 (2021)  21-22 - p. , 2021
Link: https://doi.org/10.1080/..
 
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15

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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