
.Gaussian
If you are using ANT.G, please cite the appropriate publications:
Generic references
- Fullerene-based molecular nanobridges: A
first-principles
study
J. J. Palacios, E. Louis, A. J. Perez-Jimenez, and J. A. Verges
Phys. Rev. B 64, 115411 (2001) - First-principles approach to electrical transport in
atomic-scale nanostructures
J. J. Palacios, A. J. Perez-Jimenez, E. Louis, E. SanFabian, and J. A. Verges
Phys. Rev. B 66, 035322 (2002) - Molecular electronics with GAUSSIAN98/03
J. J. Palacios, A. J. Perez-Jimenez, E. Louis, E. SanFabian, J. A. Verges, and Y. Garcia
Computational Chemistry: Reviews of Current Trends, Vol 9, 1 (2005)
Critical comparison of electrode models in density functional based quantum transport calculations
D. Jacob and J. J. Palacios
- Implementing the Keldysh formalism into ab-initio
methods
for
the calculation of quantum transport: Application to
metallic
nanocontacts
E. Louis, J. A. Verges, J. J. Palacios, A. J. Perez-Jimenez, and E. SanFabian
Phys. Rev. B 67, 155321 (2003) - Magnetic and orbital blocking in Ni nanocontacts
J. J. Palacios, D. Jacob, and J. Fernandez-Rossier
Phys. Rev. B 71, 220403 (2005) - Coulomb blockade in electron transport through a
C60
molecule from first-principles
J. J. Palacios
Phys. Rev. B 72, 125424 (2005) - Orbital eigenchannel analysis for ab initio quantum
transport calculations
D. Jacob and J. J. Palacios
Phys. Rev. B 73, 075429 (2006)
Specific references
Finite bias voltage
Spin resolved transport and magnetism
Back gate voltage and Fermi level control
Orbital eigenchannel analysis
Correlated electronic transport
Kondo effect and conductance of nanocontacts with magnetic impurities
D. Jacob, K. Haule, and G. Kotliar
Phys. Rev. Lett. 103, 016803 (2009)
Dynamical Mean-Field Theory for Nano-Transport
- Dynamical mean-field
theory for molecular electronics...
D. Jacob, K. Haule, and G. Kotliar
- Metal contacts in carbon nanotube field-effect
transistors:
Beyond the Schottky barrier paradigm
J. J. Palacios, P. Tarakeshwar, and Dae M. Kim
Phys. Rev. B 77, 113403 (2008) - Electron transport properties of the porphyrin
molecule
located between gold electrodes
I. Yanov, Y. Kholod, J. Leszczynski, and J. J. Palacios
Chem. Phys. Lett. 445, 238 (2007) - Formation of a Metallic Contact: Jump to Contact
Revisited
C. Untiedt, M. J. Caturla, M. R. Calvo, J. J. Palacios, R. C. Segers, and J. M. van Ruitenbeek
Phys. Rev. Lett. 98, 206801 (2007) - Transport in magnetically ordered Pt nanocontacts
J. Fernandez-Rossier, D. Jacob, C. Untiedt, and J. J. Palacios
Phys. Rev. B 72, 224418 (2005) - Ballistic resistivity in aluminum nanocontacts
A. Hasmy, A. J. Perez-Jimenez, J. J. Palacios, P. Garcia-Mochales, J. L. Costa-Kramer, M. Diaz, E. Medina, P.A. Serena
Phys. Rev. B 72, 245405 (2005) - Electronic transport and vibrational modes in a
small
molecular
bridge: H2 in Pt nanocontacts
Y. Garcia, J. J. Palacios, A. J. Perez-Jimenez, E. Louis, E. SanFabian, and J. A. Verges
Phys. Rev. B 69, 041402 (2004) - Molecular electronics and first-principles methods
J. J. Palacios, A. J. Perez-Jimenez, E. Louis, E. SanFabian, and J. A. Verges
http://xxx.lanl.gov/abs/cond-mat/0301270 - First-principles phase-coherent transport in
nanotubes with
realistic contacts
J. J. Palacios, A. J. Perez-Jimenez, E. Louis, E. SanFabian, and J. A. Verges
Phys. Rev. Lett. 90, 106801 (2003) - Analysis of scanning tunneling spectroscopy
experiments
from
first principles: The test case of C60 adsorbed on
Au(111)
A. J. Perez-Jimenez, J. J. Palacios, E. Louis, E. SanFabian, and J. A. Verges
ChemPhysChem 4, 388 (2003) - An ab-initio approach to electrical transport in
molecular
devices
J. J. Palacios, E. Louis, A. J. Perez-Jimenez, E. SanFabian, and J. A. Verges
Nanotechnology 13, 378 (2002) - Electronic transport through C60 molecules
J. J. Palacios, A. J. Perez-Jimenez, E. Louis, and J. A. Verges
Nanotechnology 12, 160 (2001)
Other publications