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Dynamical Mean-Field Theory for Quantum Chemistry
Nan Lin, C. A. Marianetti, Andrew J. Millis +1
The dynamical mean-field concept of approximating an unsolvable many-body problem in terms of the solution of an auxiliary quantum impurity problem, introduced to study bulk materi…
Failure mechanisms of graphene under tension
Chris A. Marianetti, Hannah G. Yevick
Recent experiments established pure graphene as the strongest material known to mankind, further invigorating the question of how graphene fails. Using density functional theory, w…
Chemical control of orbital polarization in artificially structured transition-metal oxides: La2NiXO6 (X=B, Al, Ga, In) from first principles
Myung Joon Han, Chris A. Marianetti, Andrew J. Millis
The application of modern layer-by-layer growth techniques to transition-metal oxide materials raises the possibility of creating new classes of materials with rationally designed…