On the role of the nonlocal Hartree–Fock exchange in ab initio quantum transport: H2 in Pt nanocontacts revisited
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.2953459
Reference50 articles.
1. Nobel Lecture: Electronic structure of matter—wave functions and density functionals
2. Inhomogeneous Electron Gas
3. Self-Consistent Equations Including Exchange and Correlation Effects
4. BEYOND DENSITY FUNCTIONAL THEORY: THE DOMESTICATION OF NONLOCAL POTENTIALS
5. Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
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