The question of the completeness of the natural orbitals with nonzero occupation numbers for atoms and molecules Robert C. MorrisonZhongxiang ZhouRobert G. Parr OriginalPaper Pages: 3 - 11
Atomic natural orbital basis sets for transition metals Charles W. Bauschlicher Jr.Peter R. Taylor OriginalPaper Pages: 13 - 24
Electron densities from the Brueckner Doubles method Caroline M. van HeusdenRika KobayashiNicholas C. Handy OriginalPaper Pages: 25 - 39
Low-lying triplet electronic states of acetylene:cis 3 B 2 and3 A 2,trans 3 B u and3 A u Yukio YamaguchiGeorge VacekHenry F. Schaefer III OriginalPaper Pages: 97 - 113
A spherically averaged representation of the atomic one-particle reduced density matrix Hartmut SchmiderVedene H. Smith Jr. OriginalPaper Pages: 115 - 127
Spin-projected Extended Hartree-Fock using a Valence Bond approach Carsten P. ByrmanJoop H. van LentheJacob Verbeek OriginalPaper Pages: 129 - 136
Efficient use of Jacobi rotations for orbital optimization and localization Richard C. RaffenettiKlaus RuedenbergHenry F. Schaefer OriginalPaper Pages: 149 - 165
On the uncorrelated reference for calculation of properties William A. ParkinsonJohn R. SabinJens Oddershede OriginalPaper Pages: 167 - 179
Freeon unitary group formulation of Hartree-Fock theory Frederick A. MatsenLoudon L. Campbell OriginalPaper Pages: 181 - 209
