Delgado-Barrio, Gerardo
Topics in the Theory Of Chemical and Physical Systems
Part I. Advanced Methodologies
1. Literate many-body perturbation theory programming: Third-order“ring” diagrams
Stephen Wilson
2. Multicomponent many-body perturbation theory for the simultaneous description of electronic and nuclear motion: Towards a practical implementation using literate programming methods
Stephen Wilson
3. Renormalized coupled-cluster methods: Theoretical foundations and application to the potential function of water
Piotr Piecuch, Marta Wloch, António J. C. Varandas
4. Hyperspherical and related types of coordinates for the dynamical treatment of three-body systems
Mirco Ragni, Ana Carla Peixoto Bitencourt, Vincenzo Aquilanti
5. On the time-dependent solutions of the Schrödinger equation
Alejandro Palma, I. Pedraza
Part II. Interactions and Clusters
6. An improved 6-D potential energy surface for ammonia
Svetoslav Rashev, David C. Moule, Svetlana T. Djambova
7. A review on gold–ammonia bonding patterns
Eugene S. Kryachko, Francçise Remacle
8. Potential energy surfaces and dynamics of He
Gerardo Delgado-Barrio, David López-Durán, álvaro Valdés, Rita Prosmiti, Maria Pilar Lara-Castells, Tomas González-Lezana, Pablo Villarreal
9. Theoretical treatment of charge transfer processes: From ion/atom to ion/biomolecule interactions
Marie-Christine Bacchus-Montabonel, Marta Labuda, Y. Suzanne Tergiman, Jozef E. Sienkiewicz
Part III. Excited States and Condensed Matter
10. 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
Jean Maruani, Christiane Bonnelle
11. On the role of electronic molecular states of high spin multiplicity
S. Ben Yaghlane, A. Ben Houria, Majdi Hochlaf
12.
Besma Edhay, S. Lahmar, Z. Ben Lakhdar, Majdi Hochlaf
13. An extensive study of the prototypical highly silicon doped heterofullerene C
Masahiko Matsubara, Carlo Massobrio
14. Theoretical study of the magnetism in molecular crystals using a first-principles
Mercè Deumal, Michael A. Robb, Juan J. Novoa
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Keywords: SCIENCE / Chemistry / General SCI013000
- Author(s)
- Delgado-Barrio, Gerardo
- Lahmar, Souad
- Maruani, Jean
- Wilson, Stephen
- Publisher
- Springer
- Publication year
- 2007
- Language
- en
- Edition
- 1
- Category
- Natural Sciences
- Format
- Ebook
- eISBN (PDF)
- 9781402054600