An inversion technique for the calculation of embedding potentials
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.3007987
Reference84 articles.
1. Reactive and Nonreactive Scattering of H 2 from a Metal Surface Is Electronically Adiabatic
2. First-principles study of interaction of cluster Au32 with CO, H2, and O2
3. A density functional theory study of the dissociation of H2 on gold clusters: Importance of fluxionality and ensemble effects
4. Low-order scaling local correlation methods II: Splitting the Coulomb operator in linear scaling local second-order Møller–Plesset perturbation theory
5. Low-order scaling local electron correlation methods. IV. Linear scaling local coupled-cluster (LCCSD)
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