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机译:Grand canonical electronic density-functional theory: Algorithms and applications to electrochemistry
Rensselaer Polytech Inst, Dept Mat Sci & Engn, Troy, NY 12180 USA;
CALTECH, Joint Ctr Artificial Photosynth, Pasadena, CA 91125 USA;
Cornell Univ, Lab Atom & Solid State Phys, Ithaca, NY 14853 USA;