Quantum chemistry calculations for molecules coupled to reservoirs: Formalism, implementation, and application to benzenedithiol
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.2716664
Reference37 articles.
1. Electronic structure calculations on workstation computers: The program system turbomole
2. Conductor-like Screening Model for Real Solvents: A New Approach to the Quantitative Calculation of Solvation Phenomena
3. Coherent transport through a molecular wire: DFT calculation
4. Conductance of molecular wires and transport calculations based on density-functional theory
5. Organometallic Benzene-Vanadium Wire: A One-Dimensional Half-Metallic Ferromagnet
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