4.7 Article

Electron transfer through a single barrier inside a molecule: From strong to weak coupling

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。
Review Chemistry, Multidisciplinary

Challenges for Density Functional Theory

Aron J. Cohen et al.

CHEMICAL REVIEWS (2012)

Article Materials Science, Multidisciplinary

Accuracy of density functionals for molecular electronics: The Anderson junction

Zhen-Fei Liu et al.

PHYSICAL REVIEW B (2012)

Article Materials Science, Multidisciplinary

Conduction mechanisms in biphenyl dithiol single-molecule junctions

M. Buerkle et al.

PHYSICAL REVIEW B (2012)

Article Materials Science, Multidisciplinary

Self-consistent GW calculations of electronic transport in thiol- and amine-linked molecular junctions

M. Strange et al.

PHYSICAL REVIEW B (2011)

Review Chemistry, Physical

Tuned Range-Separated Hybrids in Density Functional Theory

Roi Baer et al.

ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 61 (2010)

Article Physics, Multidisciplinary

Discontinuous Nature of the Exchange-Correlation Functional in Strongly Correlated Systems

Paula Mori-Sanchez et al.

PHYSICAL REVIEW LETTERS (2009)

Article Chemistry, Physical

Generalized gradient approximation model exchange holes for range-separated hybrids

Thomas M. Henderson et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

Article Physics, Condensed Matter

The role of many-particle excitations in Coulomb blockaded transport

B. Muralidharan et al.

JOURNAL OF PHYSICS-CONDENSED MATTER (2008)

Article Physics, Multidisciplinary

Localization and delocalization errors in density functional theory and implications for band-gap prediction

Paula Mori-Sanchez et al.

PHYSICAL REVIEW LETTERS (2008)

Editorial Material Multidisciplinary Sciences

Insights into current limitations of density functional theory

Aron J. Cohen et al.

SCIENCE (2008)

Article Physics, Condensed Matter

Conformation dependence of molecular conductance:: chemistry versus geometry

Christopher M. Finch et al.

JOURNAL OF PHYSICS-CONDENSED MATTER (2008)

Article Materials Science, Multidisciplinary

Self-interaction and molecular Coulomb blockade transport in ab initio Hartree-Fock theory

Haitao Wang et al.

PHYSICAL REVIEW B (2007)

Article Engineering, Electrical & Electronic

Theory of high bias coulomb blockade in ultrashort molecules

Bhaskaran Muralidharan et al.

IEEE TRANSACTIONS ON NANOTECHNOLOGY (2007)

Article Chemistry, Physical

Role of the exchange-correlation potential in ab initio electron transport calculations

San-Huang Ke et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

Article Chemistry, Physical

Tests of functionals for systems with fractional electron number

Oleg A. Vydrov et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

Article Chemistry, Physical

Nonequilibrium GW approach to quantum transport in nano-scale contacts

Kristian S. Thygesen et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

Article Chemistry, Multidisciplinary

Electronics and chemistry: Varying single-molecule junction conductance using chemical substituents

Latha Venkataraman et al.

NANO LETTERS (2007)

Article Materials Science, Multidisciplinary

Ab initio GW electron-electron interaction effects in quantum transport

Pierre Darancet et al.

PHYSICAL REVIEW B (2007)

Article Materials Science, Multidisciplinary

Probing electronic excitations in molecular conduction

B Muralidharan et al.

PHYSICAL REVIEW B (2006)

Article Chemistry, Physical

Molecular transport calculations with Wannier functions

KS Thygesen et al.

CHEMICAL PHYSICS (2005)

Article Physics, Multidisciplinary

Self-interaction errors in density-functional calculations of electronic transport

C Toher et al.

PHYSICAL REVIEW LETTERS (2005)

Article Chemistry, Physical

Quantifying the effects of the self-interaction error in DFT: When do the delocalized states appear?

M Lundberg et al.

JOURNAL OF CHEMICAL PHYSICS (2005)

Article Chemistry, Physical

Towards molecular spintronics

AR Rocha et al.

NATURE MATERIALS (2005)

Article Physics, Multidisciplinary

Correlated electron transport in molecular electronics

P Delaney et al.

PHYSICAL REVIEW LETTERS (2004)

Article Chemistry, Physical

The allyl radical revisited: a theoretical study of the electronic spectrum

F Aquilante et al.

CHEMICAL PHYSICS LETTERS (2003)

Review Multidisciplinary Sciences

Electron transport in molecular wire junctions

A Nitzan et al.

SCIENCE (2003)

Article Materials Science, Multidisciplinary

Density-functional method for nonequilibrium electron transport -: art. no. 165401

M Brandbyge et al.

PHYSICAL REVIEW B (2002)

Review Physics, Multidisciplinary

Few-electron quantum dots

LP Kouwenhoven et al.

REPORTS ON PROGRESS IN PHYSICS (2001)

Article Chemistry, Physical

Correct dissociation behavior of radical ions such as H2+ in density functional calculations

H Chermette et al.

JOURNAL OF CHEMICAL PHYSICS (2001)