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X
Aradi, B.
97  Ergebnisse:
Personensuche X
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1

TBMaLT, a flexible toolkit for combining tight-binding and ..:

McSloy, A. ; Fan, G. ; Sun, W....
The Journal of Chemical Physics.  158 (2023)  3 - p. , 2023
Link: https://doi.org/10.1063/..
 
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2

Fortnet, a software package for training Behler-Parrinello ..:

van der Heide, T. ; Kullgren, J. ; Broqvist, P....
Computer Physics Communications.  284 (2023)  - p. 108580 , 2023
Link: https://doi.org/10.1016/..
 
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3

Erratum: "DFTB+, a software package for efficient approxima..:

Hourahine, B. ; Aradi, B. ; Blum, V....
The Journal of Chemical Physics.  157 (2022)  3 - p. , 2022
Link: https://doi.org/10.1063/..
 
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4

DFTB+, a software package for efficient approximate density..:

Hourahine, B. ; Aradi, B. ; Blum, V....
The Journal of Chemical Physics.  152 (2020)  12 - p. , 2020
Link: https://doi.org/10.1063/..
 
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5

Implementation and benchmark of a long-range corrected func..:

Lutsker, V. ; Aradi, B. ; Niehaus, T. A.
The Journal of Chemical Physics.  143 (2015)  18 - p. , 2015
Link: https://doi.org/10.1063/..
 
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6

Ewald summation on a helix: A route to self-consistent char..:

Nikiforov, I. ; Hourahine, B. ; Aradi, B...
The Journal of Chemical Physics.  139 (2013)  9 - p. , 2013
Link: https://doi.org/10.1063/..
 
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7

Extensions of the Time-Dependent Density Functional Based T..:

Domínguez, A. ; Aradi, B. ; Frauenheim, T...
Journal of Chemical Theory and Computation.  9 (2013)  11 - p. 4901-4914 , 2013
Link: https://doi.org/10.1021/..
 
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8

Prediction of energetically optimal single-walled carbon na..:

Fan, W. J. ; Zhang, R. Q. ; Teo, Boon K...
Applied Physics Letters.  95 (2009)  1 - p. , 2009
Link: https://doi.org/10.1063/..
 
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9

Theoretical study of the chemical gap tuning in silicon nan..:

Aradi, B. ; Ramos, L. E. ; Deák, P....
Physical Review B.  76 (2007)  3 - p. , 2007
Link: https://doi.org/10.1103/..
 
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10

Accurate single-particle determination of the band gap in s..:

Rurali, R. ; Aradi, B. ; Frauenheim, Th..
Physical Review B.  76 (2007)  11 - p. , 2007
Link: https://doi.org/10.1103/..
 
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11

DFTB+, a Sparse Matrix-Based Implementation of the DFTB Met..:

Aradi, B. ; Hourahine, B. ; Frauenheim, Th.
The Journal of Physical Chemistry A.  111 (2007)  26 - p. 5678-5684 , 2007
Link: https://doi.org/10.1021/..
 
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12

Self-Interaction and Strong Correlation in DFTB:

Hourahine, B. ; Sanna, S. ; Aradi, B....
The Journal of Physical Chemistry A.  111 (2007)  26 - p. 5671-5677 , 2007
Link: https://doi.org/10.1021/..
 
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13

A theoretical study of erbium in GaN:

Hourahine, B. ; Sanna, S. ; Aradi, B...
Physica B: Condensed Matter.  376-377 (2006)  - p. 512-515 , 2006
Link: https://doi.org/10.1016/..
 
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14

Diffusion of hydrogen in perfect,p-type doped, and radiatio..:

Aradi, B. ; Deák, P. ; Gali, A...
Physical Review B.  69 (2004)  23 - p. , 2004
Link: https://doi.org/10.1103/..
 
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15

A Shallow Acceptor Complex in 4H-SiC: AlSiNCAlSi:

Deák, Peter ; Aradi, B. ; Gali, Adam..
Materials Science Forum.  433-436 (2003)  - p. 523-526 , 2003
Link: https://doi.org/10.4028/..
 
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