Piecuch, Piotr

Advances in the Theory of Atomic and Molecular Systems

Piecuch, Piotr - Advances in the Theory of Atomic and Molecular Systems, ebook


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Table of contents

Part I. Quantum Dynamics and Spectroscopy

1. Quantum Theory in Terms of Cumulant Variables
Yasuteru Shigeta, Hideaki Miyachi, Toru Matsui, Norisuke Yokoyama, Kimihiko Hirao

2. Nonclassical Phase Space Jumps and Optimal Spawning
Sandy Yang, Todd J. Martinez

3. On the Differential Cross Sections in Complex-Forming Atom–Diatom Reactive Collisions
Pedro Bargueño, Tomás González-Lezana

4. Shared Memory Parallelization of the Multiconfiguration Time-Dependent Hartree Method and Application to the Dynamics and Spectroscopy of the Protonated Water Dimer
Michael Brill, Oriol Vendrell, Hans-Dieter Meyer

5. Structural Properties and Torsional Dynamics of Peroxides and Persulfides
Glauciete S. Maciel, Ana Carla P. Bitencourt, Mirco Ragni, Gaia Grossi, Vincenzo Aquilanti

6. Theoretical Spectroscopy of Inner-Shell Electronic Processes and Photochemistry of Fluorescent Molecules
Masahiro Ehara, Hiroshi Nakatsuji

7. Electron-β-Nuclear Spectroscopy of Atoms and Molecules and Chemical Bond Effect on the β-Decay Parameters
Alexander V. Glushkov, Olga Yu. Khetselius, Ludmila Lovett

Part II. Complexes and Clusters

8. Quantum Chemical Approach to Interatomic Decay Rates in Clusters
V. Averbukh, P. Kolorenč, K. Gokhberg, L.S. Cederbaum

9. Spectroscopy of Atoms in Liquid Helium Environment: A Theoretical Perspective
Kaline Coutinho, Sylvio Canuto, Prasanta K. Mukherjee, Burkhard Fricke

10. 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, Wolfgang E. Ernst

Part III. Nanostructures and Complex Systems

11. 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, Natalia Gospodinova

12. Quantum Mechanical Examination of Optical Absorption Spectra of Silver Nanorod Dimers
Jérémy Vincenot, Christine M. Aikens

13. On the Electronic Spectra of a Molecular Bridge Under Non-Equilibrium Electric Potential Conditions
Alexander Prociuk, Barry D. Dunietz

Keywords: Chemistry, Theoretical and Computational Chemistry, Physical Chemistry, Condensed Matter Physics

Publication year
Progress in Theoretical Chemistry and Physics
Page amount
300 pages
Natural Sciences

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