J. M. Millam and G. E. Scuseria, “Linear scaling conjugate gradient density matrix search as an alternative to diagonalization for first principles electronic structure calculations,” J. Chem. Phys., 106 (1997) 5569-77. DOI: 10.1063/1.473579
J. M. Millam and G. E. Scuseria, “Linear scaling conjugate gradient density matrix search as an alternative to diagonalization for first principles electronic structure calculations,” J. Chem. Phys., 106 (1997) 5569-77. DOI: 10.1063/1.473579
