相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。On the mapping of time-dependent densities onto potentials in quantum mechanics
Roi Baer
JOURNAL OF CHEMICAL PHYSICS (2008)
Density functional calculations of nanoscale conductance
Max Koentopp et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2008)
First-principles scattering-state approach for nonlinear electrical transport in nanostructures
Hyoung Joon Choi et al.
PHYSICAL REVIEW B (2007)
Ultrafast flash thermal conductance of molecular chains
Zhaohui Wang et al.
SCIENCE (2007)
Triplet state absorption in carbon nanotubes: A TD-DFT study
Sergei Tretiak
NANO LETTERS (2007)
Photoconductance of organic single-molecule contacts
J. K. Viljas et al.
PHYSICAL REVIEW B (2007)
First-principles analysis of the STM image heights of styrene on Si(100)
K. H. Bevan et al.
PHYSICAL REVIEW B (2007)
Inelastic resonant tunneling in C60 molecular junctions
Nikolai Sergueev et al.
PHYSICAL REVIEW B (2007)
Improved exchange-correlation potential for polarizability and dissociation in density functional theory
Neepa T. Maitra et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Electromigrated nanoscale gaps for surface-enhanced Raman spectroscopy
Daniel R. Ward et al.
NANO LETTERS (2007)
Molecular transport junctions: vibrational effects
Michael Galperin et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2007)
Mapping of strongly correlated steady-state nonequilibrium system to an effective equilibrium
J. E. Han
PHYSICAL REVIEW B (2007)
Excitons and peierls distortion in conjugated carbon nanotubes
Sergei Tretiak et al.
NANO LETTERS (2007)
Time-dependent density-matrix-functional theory
Katarzyna Pernal et al.
PHYSICAL REVIEW A (2007)
First principles modeling of tunnel magnetoresistance of Fe/MgO/Fe trilayers
Derek Waldron et al.
PHYSICAL REVIEW LETTERS (2006)
Study of molecular junctions with a combined surface-enhanced Raman and mechanically controllable break junction method
Jing-Hua Tian et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2006)
Optical properties of current carrying molecular wires
Michael Galperin et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Shot noise measurements on a single molecule
D Djukic et al.
NANO LETTERS (2006)
Understanding the inelastic electron-tunneling spectra of alkanedithiols on gold
GC Solomon et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Zero-bias molecular electronics: Exchange-correlation corrections to Landauer's formula
M Koentopp et al.
PHYSICAL REVIEW B (2006)
Many-body theory of current-induced fluorescence in molecular junctions
U Harbola et al.
PHYSICAL REVIEW B (2006)
Self-interaction errors in density-functional calculations of electronic transport
C Toher et al.
PHYSICAL REVIEW LETTERS (2005)
Open shells in reduced-density-matrix-functional theory
NN Lathiotakis et al.
PHYSICAL REVIEW A (2005)
Time-dependent quantum transport: A practical scheme using density functional theory
S Kurth et al.
PHYSICAL REVIEW B (2005)
Exciton sizes of conducting polymers predicted by time-dependent density functional theory
S Tretiak et al.
PHYSICAL REVIEW B (2005)
Molecularly inherent voltage-controlled conductance switching
AS Blum et al.
NATURE MATERIALS (2005)
Effect of local environment on molecular conduction: Isolated molecule versus self-assembled monolayer
Y Selzer et al.
NANO LETTERS (2005)
Charge transport through a molecule driven by a high-frequency field
S Kohler et al.
CHEMICAL PHYSICS (2004)
Inelastic electron tunneling via molecular vibrations in single-molecule transistors
LH Yu et al.
PHYSICAL REVIEW LETTERS (2004)
Inelastic scattering and local heating in atomic gold wires
T Frederiksen et al.
PHYSICAL REVIEW LETTERS (2004)
F-V/SMS: A new technique for studying the structure and dynamics of single molecules and nanoparticles
AJ Gesquiere et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2004)
Optical switching of single-electron tunneling in SiO2/molecule/SiO2 multilayer on Si(100)
Y Wakayama et al.
APPLIED PHYSICS LETTERS (2004)
Time-dependent quantum transport: An exact formulation based on TDDFT
G Stefanucci et al.
EUROPHYSICS LETTERS (2004)
A molecular photodiode system that can switch photocurrent direction
S Yasutomi et al.
SCIENCE (2004)
Incoherent electron-phonon scattering in octanethiols
A Pecchia et al.
NANO LETTERS (2004)
Lack of Hohenberg-Kohn theorem for excited states
R Gaudoin et al.
PHYSICAL REVIEW LETTERS (2004)
Conductance of molecular wires and transport calculations based on density-functional theory
F Evers et al.
PHYSICAL REVIEW B (2004)
Theoretical investigation on electron transport through an organic molecule: Effect of the contact structure
J Nara et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Time-dependent partition-free approach in resonant tunneling systems
G Stefanucci et al.
PHYSICAL REVIEW B (2004)
One-way optoelectronic switching of photochromic molecules on gold
D Dulic et al.
PHYSICAL REVIEW LETTERS (2003)
Single-electron transistor of a single organic molecule with access to several redox states
S Kubatkin et al.
NATURE (2003)
Single molecule Raman spectroscopy at the junctions of large Ag nanocrystals
J Jiang et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2003)
Electron transport in molecular wire junctions
A Nitzan et al.
SCIENCE (2003)
Effects of gating and contact geometry on current through conjugated molecules covalently bonded to electrodes
AM Bratkovsky et al.
PHYSICAL REVIEW B (2003)
Theoretical study of the nonlinear conductance of Di-thiol benzene coupled to Au(111) surfaces via thiol and thiolate bonds
K Stokbro et al.
COMPUTATIONAL MATERIALS SCIENCE (2003)
Fabrication approach for molecular memory arrays
C Li et al.
APPLIED PHYSICS LETTERS (2003)
Resonant nonlinear polarizabilities in the time-dependent density functional theory
S Tretiak et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Spectral features of inelastic electron transport via a localized state
T Mii et al.
PHYSICAL REVIEW B (2003)
Theoretical study of photon emission from molecular wires
J Buker et al.
PHYSICAL REVIEW B (2002)
First-principles based matrix Green's function approach to molecular electronic devices: general formalism
YQ Xue et al.
CHEMICAL PHYSICS (2002)
First-principles analysis of molecular conduction using quantum chemistry software
P Damle et al.
CHEMICAL PHYSICS (2002)
Coulomb blockade and the Kondo effect in single-atom transistors
J Park et al.
NATURE (2002)
Conductance of small molecular junctions
NB Zhitenev et al.
PHYSICAL REVIEW LETTERS (2002)
Solid state effects on exciton states and optical properties of PPV
A Ruini et al.
PHYSICAL REVIEW LETTERS (2002)
Density-functional method for nonequilibrium electron transport -: art. no. 165401
M Brandbyge et al.
PHYSICAL REVIEW B (2002)
Electronic excitations: density-functional versus many-body Green's-function approaches
G Onida et al.
REVIEWS OF MODERN PHYSICS (2002)
On the density matrix based approach to time-dependent density functional response theory
F Furche
JOURNAL OF CHEMICAL PHYSICS (2001)
Asymptotic correction approach to improving approximate exchange-correlation potentials: Time-dependent density-functional theory calculations of molecular excitation spectra
ME Casida et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
Theory of single molecule vibrational spectroscopy and microscopy
N Lorente et al.
PHYSICAL REVIEW LETTERS (2000)
Density-matrix representation of nonadiabatic couplings in time-dependent density functional (TDDFT) theories
V Chernyak et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
分享论文
