RSC Advances · 2018 · 29 citations · 38 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsElectronic MaterialsMolecular PhysicsElectron CorrelationMolecular BondingMolecular Quantum MechanicsMolecular JunctionsQuantum InterferenceQuantum Interference EffectsQuantum Transport EffectsSeebeck CoefficientSeebeck Effect
When two adjacent molecules are slid across each other, quantum interference causes oscillations in their conductance and Seebeck coefficient.
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Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
Natural Sciences, Chemistry, Physics +16
Efficient pseudopotentials for plane-wave calculations
N. Troullier, José Luı́s Martins · Physical review. B, Condensed matter · 1991 · 16.1K citations
Natural Sciences, Chemistry, Physics +14
The SIESTA method for<i>ab initio</i>order-<i>N</i>materials simulation
José M. Soler, Emilio Artacho, Julian D. Gale et al. · Journal of Physics Condensed Matter · 2002 · 11.8K citations · Full text
Natural Sciences, Chemistry, Physics +17
Van der Waals Density Functional for General Geometries
M. Dion, Hanna A. Rydberg, Elsebeth Schröder et al. · Physical Review Letters · 2004 · 5.6K citations · Full text
Natural Sciences, Chemistry, Physics +13
Thermoelectricity in Molecular Junctions
Pramod Reddy, Sung‐Yeon Jang, Rachel A. Segalman et al. · Science · 2007 · 948 citations