Advances in the Theory of Quantum Systems in Chemistry and Physics
Advances in the Theory of Quantum Systems in Chemistry and Physics is a collection of 32 selected papers from the scientific contributions presented at the 15th International Workshop on Quantum Systems in Chemistry and Physics (QSCP-XV), held at Magdalene College, Cambridge, UK, from August 31st to...
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| Other Authors: | , , , |
| Format: | Electronic eBook |
| Language: | English |
| Published: |
Dordrecht :
Springer Netherlands,
2012.
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| Series: | Progress in theoretical chemistry and physics ;
v. 22. |
| Subjects: | |
| Online Access: | Full text (Wentworth users only). |
Table of Contents:
- Time Asymmetry and the Evolution of Physical Laws
- Spatially-Dependent-Mass Schrödinger Equations with Morse Oscillator Eigenvalues: Isospectral Potentials and Factorization Operators
- Relativistic Theory of Cooperative Muon-Nuclear Processes: Negative Muon Capture and Metastable Nucleus Discharge
- Two-Range Addition Theorem for Coulomb Sturmians
- Why Specific ETOs are Advantageous for NMR and Molecular Interactions
- Progress in Hylleraas-CI Calculations on Boron
- Structural and Electronic Properties of Polonium under Hydrostatic Pressure
- Complexity Analysis of the Hydrogenic Spectrum in Strong Fields
- Atomic Density Functions: Atomic Physics Calculations Analyzed with Methods from Quantum Chemistry
- Understanding Maximum Probability Domains with Simple Models
- Density Scaling for Excited States
- Finite Element Method in DFT Electronic Structure Calculations
- Shifts in Excitation Energies Induced by Hydrogen Bonding: A Comparison of the Embedding and Supermolecular Time-Dependent DFT Calculations with the Equation-of-Motion Coupled-Cluster Results
- Multiparticle Distribution of Fermi Gas System in Any Dimension
- Hierarchical Effective-Mode Approach for Extended Molecular Systems
- Short-Time Dynamics through Conical Intersections in Macro-systems: Quadratic Coupling Extension
- Theoretical Methods for Nonadiabatic Dynamics “on the fly” in Complex Systems and its Control by Laser Fields
- A Survey on Reptation Quantum Monte Carlo
- Quantum Monte Carlo Calculations of Electronic Excitation Ener-gies: the Case of the Singlet n → (CO) Transition in Acrolein
- Analysis of the Charge-Transfer Mechanism in Ion-Molecule Collisions
- Recombination by Electron Capture in the Interstellar Medium
- Systematic Exploration of Chemical Structures and Reaction Pathways on the Quantum Chemical Potential Energy Surface by Means of the Anharmonic Downward Distortion-Following Method
- Neutral Hydrolysis of Methyl Formate from Ab-initio Potentials and Molecular Dynamics Simulation
- Radial Coupling and Adiabatic Correction for the LiRb Molecule
- Centre-of-Mass Separation in Quantum Mechanics: Implications for the Many-Body Treatment in Quantum Chemistry and Solid-State Physics
- Anti-Adiabatic State - Ground Electronic State of Superconductors
- Delocalization Effects in Pristine and Oxidized Graphene Substrates
- A Review of Bonding in Dendrimers and Nano-Tubes
- 20-Nanogold Td and Low-Energy Hollow Cages: Void Reactivity
- A Theoretical Study of Complexes of Crown Ethers with Substituted Ammonium Cations
- Systematic Derivation and Testing of AMBER Force Field Parameters for Fatty Ethers from Quantum Mechanical Calculations
- Theoretical Studies on Metal-Containing Artificial DNA Bases.