Andrew D. Daniels

Comparison of Conjugate Gradient Density Matrix Search and Chebyshev Expansion Methods for Avoiding Diagonalization in Large-Scale Electronic Structure Calculations

Gustavo E. Scuseria, Kevin R. Bates, G. Scuseria, 1998 .

What is the Best Alternative to Diagonalization of the Hamiltonian in Large Scale Semiempirical Calculations

Gustavo E. Scuseria, G. Scuseria, A. D. Daniels, 1999 .

Semiempirical methods with conjugate gradient density matrix search to replace diagonalization for molecular systems containing thousands of atoms

Gustavo E. Scuseria, G. Scuseria, J. Millam, 1997 .

Geometry Optimization of Kringle 1 of Plasminogen Using the PM3 Semiempirical Method

Gustavo E. Scuseria, H. Bernhard Schlegel, Ödön Farkas, 2000 .