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20002023
most citedNECI: N-Electron Configuration Interaction with emphasis on state-of-the-art stochastic methods

99 citations · 301 across the 15 of their papers we have counts for

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cond-mat.mtrl-sci2000

Equilibrium and adhesion of Nb/sapphire: the effect of oxygen partial pressure

Iskander G. Batirev, Ali Alavi, Michael W. Finnis

We derive a formula, useful for first-principles calculations, which relates the free energy of an oxide/metal interface to the free energies of surfaces and the work of separation…