1 citations · 1 across the 2 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2008
Efficient method to calculate total energies of large nanoclusters
M. Yu, R. Ramprasad, G. W. Fernando +1
We present an approach to calculate total energies of nanoclusters based on first principles estimates. For very large clusters the total energy can be separated into surface, edge…
cond-mat.mtrl-sci2004★ 1 cited
Self-Consistent and Environment-Dependent Hamiltonians for Materials Simulations : case Studies on Silicon Structures
C. Leahy, M. Yu, C. S. Jayanthi +1
A reliable semi-empirical Hamiltonian for materials simulations must allow electron screening and charge redistribution effects. Using the framework of linear combination of atomic…