Application of a H 2 + -like model to helium atom. Solution of the wave equation at the ground state Feng Xu OriginalPaper Pages: 279 - 280
Dissociation of symmetry-adapted local modes studied by FFT-propagation of bond-adapted wavefunctions E. J. HellerJ. Manz OriginalPaper Pages: 281 - 288
Cyclic and linear analogues of N2O. Theoretical evaluation of bonding properties T. BuschW. W. Schoeller OriginalPaper Pages: 289 - 294
Extended universal correlation diagrams for the quantum mechanical one-electron two-centre problem K. Helfrich OriginalPaper Pages: 295 - 299
Ab initio calculation of the potential surfaces for low-lying valence electronic states of the C2H radical H. ThümmelM. PerićR. J. Buenker OriginalPaper Pages: 307 - 316
Ab initio MRD CI calculations on the cesium hydride (CsH) molecule M. CarnellS. D. PeyerimhoffB. A. Heß OriginalPaper Pages: 317 - 333
Study of orbital transformation in configuration interaction calculations of hyperfine coupling in nitrogen and the CH molecule B. EngelsS. D. Peyerimhoff OriginalPaper Pages: 335 - 343
Ground state and excitational properties of atoms J. CordesL. Fritsche OriginalPaper Pages: 345 - 354
Core-valence correlation potentials based on density functional theory. Applications to valence-electron-only calculations on Na and K diatomics P. FantucciS. PolezzoJ. Koutecký OriginalPaper Pages: 355 - 361
Relativistic all electron configuration interaction calculation of ground and excited states of the gold hydride molecule G. JansenB. A. Heß OriginalPaper Pages: 363 - 375
Computational chemistry with transputers: a direct SCF program U. WedigA. BurkhardtH. G. v. Schnering OriginalPaper Pages: 377 - 384