Maruani J., Minot C. (ed.) New Trends in Quantum Systems in Chemistry and Physics. Volume 2. Advanced Problems and Complex Systems

Kluwer Academic Publishers, 2002. - 313 p.
Progress in Theoretical Chemistry and Physics is made at different rates in these various research fields. The aim of this book series is to provide timely and in-depth coverage of selected topics and broad-ranging yet detailed analysis of contemporary theories and their applications. The series will be of primary interest to those whose research is directly concerned with the development and application of theoretical approaches in the chemical sciences. It will provide up-to-date reports on theoretical methods for the chemist, thermodynamician or spectroscopist, the atomic, molecular or
cluster physicist, and the biochemist or molecular biologist who wish to employ techniques developed in theoretical, mathematical or computational chemistry in their research programmes. It is also intended to provide the graduate student with a readily accessible documentation on various branches of theoretical chemistry, physical chemistry and chemical physics.Contents

Part VI. Response Theory: Properties and Spectra

On gauge invariance and molecular electrodynamics
R.G. WoolleyQuantum mechanics of electro-nuclear systems - Towards a theory of chemical reactions
O. TapiaTheoretical study of regularities in atomic and molecular spectral properties
I. Martнn, C. Lavнn and E. CharroExcited states of hydrogen peroxide: an overview
P. K. Mukherjee, M. L. Senent and Y. G. SmeyersOn electron dynamics in violent cluster excitations
P. G. Reinhard and E. SuraudRelativistic effects in non-linear atom-laser interactions at ultrahigh intensities
V. Vйniard, R. Taпeb, C. Szymanowski and A. MaquetPart VII - Reactive Collisions and Chemical Reactions

Semiclassical close-coupling description of electron transfer in multicharged ion-atom collisions
J. Caillat, A. Dubois and J. P. HansenSingle and double electron capture in boron collision systems
M. C Bacchus-Montabonel and P. HonvaultTheoretical study of the interaction of carbon dioxide with Sc, Ti, Ni, and Cu atoms
F. Mele, N. Russo, M. Toscano and F. IllasPart VIII. Condensed Matter

Recurrent variational approach applied to the electronic structure of conjugated polymers
S. Pleutin, E. Jeckelmann, M.A. Martнn-Delgado and G. SierraEffects of solvation for (R,R) tartaric-acid amides
M. Hoffmann and J. RychlewskiInterpretation of vibrational spectra in electrochemical environments from first-principle calculations: computational strategies
M. Garcнa-Hernбndez, A. Markovits, A. Clotet, J.M Ricart and F. IllasExcited states in metal oxides by configuration interaction and multireference
perturbation theory
C. Sousa, C. de Graaf, F. Illas and G. PacchioniElectrostatic effects in the heterolytic dissociation of hydrogen at magnesium oxide
C. Pisani and A. D’Ercole
A DFT study of CO adsorption on Ni^II ions 3-fold coordinated to silica
D. Costa, M. Kermarec, M. Che, G. Martra, Y. Girard and P. ChaquinA theoretical study of structure and reactivity of titanium chlorides
C. Martinsky and C. MinotPhenomenological description of D-wave condensates in high-T_c superconducting cuprates
E. Brдndas, L.J. Dunne and J. N. MurrellContents of Volume 1

Combined Index to Volumes 1 and 2