Computational Molecular Spectroscopy

13.09.2000

Englisch

9780471489986

John Wiley & Sons

Nein

Jensen

670

Gebundene Ausgabe

Laminiert

Chemie, Chemistry, Physical Chemistry, Physikalische Chemie, Quantenchemie, Spectroscopy, Spektroskopie

PNFS - Spektroskopie, Spektrochemie, Massenspektrometrie

Partial table of contents: The Born-Oppenheimer Approximation (P. Bunker & P. Jensen). ELECTRONIC STATES. Ab Initio Determination of Accurate Ground Electronic State Potential Energy Hypersurfaces for Small Molecules (A. Császár, et al.). Symmetry Adapted Perturbation Theory Applied to the Computation of Intermolecular Forces (R. Moszynski, et al.). The Ab Initio Calculation of Molecular Properties Other than the Potential Energy Surface (S. Sauer & M. Packer). ROTATION-VIBRATION STATES. Perturbation Theory, Effective Hamiltonians and Force Constants (K. Sarka & J. Demaison). Variational Calculations of Rotation-Vibration Spectra (J. Tennyson). ROVIBRONIC STATES AND THE BREAKDOWN OF THE BORN-OPPENHEIMER APPROXIMATION. The Renner Effect (P. Jensen, et al.). The Renner-Teller Effect: The Effective Hamiltonian Approach (J. Brown). DYNAMICS. Forming Superposition States (T. Seideman). Ab Initio Molecular Dynamics (J. Tse & R. Rousseau). Index.

252 mm

17.3 cm