Davenport, J W; Chetty, N; Marr, R B; Narasimhan, Shobhana; Pasciak, J E; Peierls, R F; Weinert, M
(Brookhaven National Laboratory, 1994)
Recent advances in computational techniques have led to the possibility of performing
first principles calculations of the energetics of alloy formation on systems involving
several hundred atoms. This includes impurity ...