The optimization of MCSCF functions by application of the generalized brillouin theorem: The LiH2 potential energy surface Paul J. A. RuttinkJoop H. van Lenthe Original Investigations Pages: 97 - 107
Calculation of molecular one-electron properties Peter SwanstrømWolfgang P. KraemerGeerd H. F. Diercksen Original Investigations Pages: 109 - 127
Bonded-atom fragments for describing molecular charge densities F. L. Hirshfeld Original Investigations Pages: 129 - 138
Cation binding to biomolecules Bernard PullmanNohad GreshAlberte Pullman Original Investigations Pages: 151 - 163
A new approach to variational CI calculations on systems containing non-interacting molecules Gunnar Karlström Original Investigations Pages: 165 - 169
The electronic structure and one-electron properties of BH computed from SCF and CI wave functions Stewart A. HouldenImre G. Csizmadia Original Investigations Pages: 171 - 180
A theoretical investigation of electronic reorganizations accompanying core and valence ionization in simple hydrogen bonded systems David T. ClarkBenjamin J. Cromarty Original Investigations Pages: 181 - 199
Generalized perturbation theory: Quality of the first-order wave function Nimrod MoiseyevJacob Katriel Original Investigations Pages: 201 - 213
Perpendicular component of dipole moment in methyl groups John F. Ogilvie Short Communication Pages: 215 - 218
