Thomas Niehaus
机构: Institut Lumière Matière, Université Claude Bernard Lyon 1
主页: univ-lyon1.fr
每年引用次数
引用次数
引用: 6,178
H-指数: 39
I10-指数 : 79
出版物: 154
Electronic transport properties of molecular devices
A. Pecchia , L. Latessa , A. Di Carlo , P. Lugli
Physica E-low-dimensional Systems & Nanostructures 19 ( 1) 139 -144
28
2003
Importance of electronic self-consistency in the TDDFT based treatment of nonadiabatic molecular dynamics
D. Heringer , Th. Frauenheim , T.A. Niehaus , T.A. Niehaus
arXiv: Chemical Physics
76
2004
Boundary and Symmetry Determined Exciton Distribution in Two Dimensional Silicon Nanosheets
Qi Wu , Xiao-Hui Wang , T.A. Niehaus , Rui-Qin Zhang
Journal of Physical Chemistry C 118 ( 35) 20070 -20076
21
2014
Approximate time-dependent density functional theory
T.A. Niehaus
Journal of Molecular Structure-theochem 914 ( 1) 38 -49
70
2009
Effect of self-consistency and electron correlation on the spatial extension of bipolaronic defects
T.A. Niehaus , A. Di Carlo , Th. Frauenheim
Organic Electronics 5 ( 4) 167 -174
8
2004
An efficient method for quantum transport simulations in the time domain
Y. Wang , C.-Y. Yam , Th. Frauenheim , G.H. Chen
Chemical Physics 391 ( 1) 69 -77
38
2011
Application of an approximate density-functional method to sulfur containing compounds
T.A. Niehaus , M. Elstner , Th. Frauenheim , S. Suhai
Journal of Molecular Structure-theochem 541 ( 1) 185 -194
109
2001
Femtosecond nonadiabatic cascade and subsequent photofragmentation of XUV excited caffeine molecule
K Yamazaki , A Marciniak , S Maeda , M Reduzzi
Journal of Physics: Conference Series 1412 ( 14) 142027
2020
J. Mol. Struct.(Theochem)
J Fabian , LA Diaz , G Seifert , T Niehaus
4
2002
Thermal Transport Across Nanoscale Gaps and Across Single Molecule Junctions
F Tabatabaei , Y Guo , C Adessi , M Gomez Viloria
Thermal Transport Across Nanoscale Gaps and Across Single Molecule Junctions
F Tabatabaei , Y Guo , C Adessi , M Gómez Viloria
2023
Efficient evaluation of the Fourier transform over products of Slater-type orbitals on different centers
T A Niehaus , R López , J F Rico
Journal of Physics A 41 ( 48) 485205
9
2008
Dynamical generalization of a solvable family of two-electron model atoms with general interparticle repulsion
T A Niehaus , S Suhai , N H March
Journal of Physics A 41 ( 8) 085304
5
2008
Stacking dependence of carrier transport properties in multilayered black phosphorous.
A Sengupta , M Audiffred , T Heine , T A Niehaus
Journal of Physics: Condensed Matter 28 ( 7) 075001 -075001
11
2016
Sensitivity of hydrogenated silicon nanodot on small polar molecules
M. X. HE , R. Q. ZHANG , T. A. NIEHAUS , TH. FRAUENHEIM
Journal of Theoretical and Computational Chemistry 08 ( 02) 299 -316
6
2009
Excited state properties of allylamine-capped silicon quantum dots
X. Wang , Zhang , Niehaus , Th. Frauenheim
Journal of Physical Chemistry C 111 ( 6) 2394 -2400
39
2007
Erratum:“DFTB+, a software package for efficient approximate density functional theory based atomistic simulations”[J. Chem. Phys. 152, 124101 (2020)]
B Hourahine , B Aradi , V Blum , F Bonafé
The Journal of Chemical Physics 157 ( 3) 039901 -039901
4
2022
Anomalous size dependence of the luminescence in reconstructed silicon nanoparticles (vol 93, art no 243120, 2008)
X Wang , RQ Zhang , ST Lee , Th Frauenheim
APPLIED PHYSICS LETTERS 94 ( 2)
2009
DFTB+, a software package for efficient approximate density functional theory based atomistic simulations (vol 152, 124101, 2020)
B Hourahine , B Aradi , V Blum , F Bonafe
JOURNAL OF CHEMICAL PHYSICS 157 ( 3)
2022
A simple tight-binding approach to Time-Dependent Density-Functional Response-Theory
TA Niehaus , S Suhai , F Della Sala , P Lugli