Broadening of the derivative discontinuity in density functional theory

Relating Energy Level Alignment and Amine-Linked Single Molecule Junction Conductance

(2010) M. Dell’Angela et al.   NANO LETTERS

The Relation between Structure and Quantum Interference in Single Molecule Junctions

(2010) Troels Markussen et al.   NANO LETTERS

Dynamical Coulomb Blockade and the Derivative Discontinuity of Time-Dependent Density Functional Theory

(2010) S. Kurth et al.   PHYSICAL REVIEW LETTERS

Influence of Conformation on Conductance of Biphenyl-Dithiol Single-Molecule Contacts

(2009) Artem Mishchenko et al.   NANO LETTERS

Quantum-Interference-Controlled Molecular Electronics

(2008) San-Huang Ke et al.   NANO LETTERS

Exact Ground State Density-Functional Theory for Impurity Models Coupled to External Reservoirs and Transport Calculations

(2008) Peter Schmitteckert et al.   PHYSICAL REVIEW LETTERS

Localization and Delocalization Errors in Density Functional Theory and Implications for Band-Gap Prediction

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Orbital-dependent density functionals: Theory and applications

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