InhaltsangabePreface Part I. Quantum Dynamics and Spectroscopy Quantum Theory in Terms of Cumulant Variables (Yasuteru Shigeta, Hideaki Miyachi, Toru Matsui, Norisuke Yokoyama, and Kimihiko Hirao) Nonclassical Phase Space Jumps and Optimal Spawning (Sandy Yang and Todd J. Martinez) On the Differential Cross Sections in Complex-Forming Atom-Diatom Reactive Collisions (Pedro Bargueño and Tomás González-Lezana) Shared Memory Parallelization of the Multi-Configuration Time-Dependent Hartree Method and Application to the Dynamics and Spectroscopy of the Protonated Water-Dimer (Michael Brill, Oriol Vendrell, and Hans-Dieter Meyer) Structural Properties and Torsional Dynamics of Peroxides and Persulfides (Glauciete S. Maciel, Ana Carla P. Bitencourt, Mirco Ragni, Gaia Grossi, and Vincenzo Aquilanti) Theoretical Spectroscopy of Inner-Shell Electronic Processes and Photochemistry of Fluorescent Molecules (Masahiro Ehara and Hiroshi Nakatsuji) Electron-ß-Nuclear Spectroscopy of Atoms and Molecules and Chemical Bond Effect on the ß-Decay Parameters (Alexander V. Glushkov, Olga Yu. Khetselius, and Ludmila Lovett) Part II. Complexes and Clusters Quantum Chemical Approach to Interatomic Decay Rates in Clusters (V. Averbukh, P. Kolorenc, K. Gokhberg, and L. S. Cederbaum) Spectroscopy of Atoms in Liquid Helium Environment: A Theoretical Perspective (Kaline Coutinho, Sylvio Canuto, Prasanta K. Mukherjee, and Burkhard Fricke) Level-structure and Magnetic Properties from One-Electron Atoms to Clusters with Delocalized Electronic Orbitals: Shell Models for Alkali Trimers (Andreas W. Hauser, Carlo Callegari, and Wolfgang E. Ernst) PartIII. Nanostructures and Complex Systems Influence of the Level of Protonation on the Geometry and the Electronic Structure of Emeraldine Oligomers (Jasmina Petrova, Julia Romanova, Galia Madjarova, Anela Ivanova, Alia Tadjer, and Natalia Gospodinova) Quantum Mechanical Examination of Optical Absorption Spectra of Silver Nanorod Dimers (Jérémy Vincenot and Christine M. Aikens) On the Electronic Spectra of a Molecular Bridge Under Non-Equilibrium Electric Potential Conditions (Alexander Prociuk and Barry D. Dunietz)

Preface Part I. Quantum Dynamics and Spectroscopy Quantum Theory in Terms of Cumulant Variables (Yasuteru Shigeta, Hideaki Miyachi, Toru Matsui, Norisuke Yokoyama, and Kimihiko Hirao) Nonclassical Phase Space Jumps and Optimal Spawning (Sandy Yang and Todd J. Martinez) On the Differential Cross Sections in Complex-Forming Atom-Diatom Reactive Collisions (Pedro Bargueño and Tomas Gonzalez-Lezana) Shared Memory Parallelization of the Multi-Configuration Time-Dependent Hartree Method and Application to the Dynamics and Spectroscopy of the Protonated Water-Dimer (Michael Brill, Oriol Vendrell, and Hans-Dieter Meyer) Structural Properties and Torsional Dynamics of Peroxides and Persulfides (Glauciete S. Maciel, Ana Carla P. Bitencourt, Mirco Ragni, Gaia Grossi, and Vincenzo Aquilanti) Theoretical Spectroscopy of Inner-Shell Electronic Processes and Photochemistry of Fluorescent Molecules (Masahiro Ehara and Hiroshi Nakatsuji) Electron-ß-Nuclear Spectroscopy of Atoms and Molecules and Chemical Bond Effect on the ß-Decay Parameters (Alexander V. Glushkov, Olga Yu. Khetselius, and Ludmila Lovett) Part II. Complexes and Clusters Quantum Chemical Approach to Interatomic Decay Rates in Clusters (V. Averbukh, P. Kolorenc, K. Gokhberg, and L. S. Cederbaum) Spectroscopy of Atoms in Liquid Helium Environment: A Theoretical Perspective (Kaline Coutinho, Sylvio Canuto, Prasanta K. Mukherjee, and Burkhard Fricke) Level-structure and Magnetic Properties from One-Electron Atoms to Clusters with Delocalized Electronic Orbitals: Shell Models for Alkali Trimers (Andreas W. Hauser, Carlo Callegari, and Wolfgang E. Ernst) Part III. Nanostructures and Complex Systems Influence of the Level of Protonation on the Geometry and the Electronic Structure of Emeraldine Oligomers (Jasmina Petrova, Julia Romanova, Galia Madjarova, Anela Ivanova, Alia Tadjer, and Natalia Gospodinova) Quantum Mechanical Examination of Optical Absorption Spectra of Silver Nanorod Dimers (Jeremy Vincenot and Christine M. Aikens) On the Electronic Spectra of a Molecular Bridge Under Non-Equilibrium Electric Potential Conditions (Alexander Prociuk and Barry D. Dunietz)