Ebook: Topics in the Theory Of Chemical and Physical Systems: Proceedings of the 10th European Workshop on Quantum systemsin chemistry and physics held at Carthage, Tunisia, in September 2005
Author: Stephen Wilson (auth.) Souad Lahmar Jean Maruani Stephen Wilson Gerardo Delgado-Barrio (eds.)
- Tags: Physical Chemistry, Theoretical and Computational Chemistry, Materials Science general, Quantum Physics, Atomic/Molecular Structure and Spectra, Atomic Molecular Optical and Plasma Physics
- Series: Progress in Theoretical Chemistry and Physics 16
- Year: 2007
- Publisher: Springer Netherlands
- Edition: 1
- Language: English
- pdf
Topics in the Theory of Chemical and Physical Systems is a collection of 14 selected papers from the scientific presentations made at the 10th European Workshop on Quantum Systems in Chemistry and Physics held at Carthage, Tunisia, in September 2005. This book encompasses a spectrum of topics in which emphasis is placed on theoretical methods in the study of chemical and physical properties of various systems:
Advanced Methodologies
Interactions and Clusters
Excited States
and Condensed Matter
This volume is an invaluable resource for all academics and researchers interested in theoretical, quantum or computational chemistry, physical chemistry and chemical physics, particularly molecular structure and spectroscopy, interactions and complexes. It presents a selection of some of the most advanced methodologies, results and insights in these various areas.
Topics in the Theory of Chemical and Physical Systems is a collection of 14 selected papers from the scientific presentations made at the 10th European Workshop on Quantum Systems in Chemistry and Physics held at Carthage, Tunisia, in September 2005. This book encompasses a spectrum of topics in which emphasis is placed on theoretical methods in the study of chemical and physical properties of various systems:
Advanced Methodologies
Interactions and Clusters
Excited States
and Condensed Matter
This volume is an invaluable resource for all academics and researchers interested in theoretical, quantum or computational chemistry, physical chemistry and chemical physics, particularly molecular structure and spectroscopy, interactions and complexes. It presents a selection of some of the most advanced methodologies, results and insights in these various areas.
Topics in the Theory of Chemical and Physical Systems is a collection of 14 selected papers from the scientific presentations made at the 10th European Workshop on Quantum Systems in Chemistry and Physics held at Carthage, Tunisia, in September 2005. This book encompasses a spectrum of topics in which emphasis is placed on theoretical methods in the study of chemical and physical properties of various systems:
Advanced Methodologies
Interactions and Clusters
Excited States
and Condensed Matter
This volume is an invaluable resource for all academics and researchers interested in theoretical, quantum or computational chemistry, physical chemistry and chemical physics, particularly molecular structure and spectroscopy, interactions and complexes. It presents a selection of some of the most advanced methodologies, results and insights in these various areas.
Content:
Front Matter....Pages i-xiv
Front Matter....Pages 1-1
Literate many-body perturbation theory programming: Third-order“ring” diagrams....Pages 3-33
Multicomponent many-body perturbation theory for the simultaneous description of electronic and nuclear motion: Towards a practical implementation using literate programming methods....Pages 35-61
Renormalized coupled-cluster methods: Theoretical foundations and application to the potential function of water....Pages 63-121
Hyperspherical and related types of coordinates for the dynamical treatment of three-body systems....Pages 123-146
On the time-dependent solutions of the Schr?dinger equation....Pages 147-150
Front Matter....Pages 152-152
An improved 6-D potential energy surface for ammonia....Pages 153-160
A review on gold–ammonia bonding patterns....Pages 161-191
Potential energy surfaces and dynamics of He n Br2 van der Waals complexes....Pages 193-202
Theoretical treatment of charge transfer processes: From ion/atom to ion/biomolecule interactions....Pages 203-214
Front Matter....Pages 216-216
Shell effects and homothetic expressions for electron relaxation and other corrections to 2p-core ionization energies and spin-orbit splitting for atoms from Cl to Ba....Pages 217-233
On the role of electronic molecular states of high spin multiplicity....Pages 235-247
Ab initio characterization of electronically excited metastable states of S2 - ....Pages 249-259
An extensive study of the prototypical highly silicon doped heterofullerene C30Si30 ....Pages 261-270
Theoretical study of the magnetism in molecular crystals using a first-principles bottom-up methodol....Pages 271-289
Back Matter....Pages 291-297
Topics in the Theory of Chemical and Physical Systems is a collection of 14 selected papers from the scientific presentations made at the 10th European Workshop on Quantum Systems in Chemistry and Physics held at Carthage, Tunisia, in September 2005. This book encompasses a spectrum of topics in which emphasis is placed on theoretical methods in the study of chemical and physical properties of various systems:
Advanced Methodologies
Interactions and Clusters
Excited States
and Condensed Matter
This volume is an invaluable resource for all academics and researchers interested in theoretical, quantum or computational chemistry, physical chemistry and chemical physics, particularly molecular structure and spectroscopy, interactions and complexes. It presents a selection of some of the most advanced methodologies, results and insights in these various areas.
Content:
Front Matter....Pages i-xiv
Front Matter....Pages 1-1
Literate many-body perturbation theory programming: Third-order“ring” diagrams....Pages 3-33
Multicomponent many-body perturbation theory for the simultaneous description of electronic and nuclear motion: Towards a practical implementation using literate programming methods....Pages 35-61
Renormalized coupled-cluster methods: Theoretical foundations and application to the potential function of water....Pages 63-121
Hyperspherical and related types of coordinates for the dynamical treatment of three-body systems....Pages 123-146
On the time-dependent solutions of the Schr?dinger equation....Pages 147-150
Front Matter....Pages 152-152
An improved 6-D potential energy surface for ammonia....Pages 153-160
A review on gold–ammonia bonding patterns....Pages 161-191
Potential energy surfaces and dynamics of He n Br2 van der Waals complexes....Pages 193-202
Theoretical treatment of charge transfer processes: From ion/atom to ion/biomolecule interactions....Pages 203-214
Front Matter....Pages 216-216
Shell effects and homothetic expressions for electron relaxation and other corrections to 2p-core ionization energies and spin-orbit splitting for atoms from Cl to Ba....Pages 217-233
On the role of electronic molecular states of high spin multiplicity....Pages 235-247
Ab initio characterization of electronically excited metastable states of S2 - ....Pages 249-259
An extensive study of the prototypical highly silicon doped heterofullerene C30Si30 ....Pages 261-270
Theoretical study of the magnetism in molecular crystals using a first-principles bottom-up methodol....Pages 271-289
Back Matter....Pages 291-297
....