Theoretical studies of molecular conformation. Derivation of an additive procedure for the computation of intramolecular interaction energies. Comparison withab initio SCF computations Nohad GreshPierre ClaverieAlberte Pullman OriginalPaper Pages: 1 - 20
Ab initio calculations of infrared transition probabilities in the electronic ground states of AlF and AlF+ Robert KleinPavel Rosmus OriginalPaper Pages: 21 - 29
Coulombic and ring-shaped potentials treated in a unified way via a nonbijective canonical transformation Maurice KiblerTidjani Négadi OriginalPaper Pages: 31 - 42
The electronic structures of some extended conjugated electron acceptors within the Hartree-Fock approximation and beyond the mean-field approach as verified by the Hartree-Fock instabilities Helmut VoglerMichael C. Böhm OriginalPaper Pages: 51 - 64
The ground state of MoCr(O2CH)4 at theab initio SCF and CI levels. A symmetry adapted RHF energy functional with an artificial double minimum Roland WiestMarc Benard OriginalPaper Pages: 65 - 75