Response theory and molecular properties : a tribute to Jan Linderberg and Poul Jørgensen /
Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field that falls between the historically established areas of mathematics, physics, chemistry, and biology. With invited reviews written by leading international researchers, each presenting new result...
| Άλλοι συγγραφείς: | , , , , |
|---|---|
| Μορφή: | Ηλ. βιβλίο |
| Γλώσσα: | English |
| Έκδοση: |
Amsterdam ; Boston :
Elsevier Academic Press,
©2005.
|
| Σειρά: | Advances in quantum chemistry ;
v. 50. |
| Θέματα: | |
| Διαθέσιμο Online: | Full Text via HEAL-Link |
Πίνακας περιεχομένων:
- Jan Linderberg, Scientist, Teacher, Friend
- Poul Jørgensen and His Science
- Multi-Photon Absorption of Molecules
- Two-Bond Spin-Spin Coupling Constants (2hJX-Y) Across X-H-Y Hydrogen Bonds: Some Fundamental Questions
- Structure Optimizations for Excited States with Correlated Second-Order Methods: CC2 and ADC(2)
- Angular Symmetry and Hylleraas Coordinates in Four-Body Problems
- The Rotational g Tensor as a Benchmark for Ab Initio Molecular Property Calculations
- Linear Response Properties Required to Simulate Vibrational Spectra of Biomolecules in Various Media: (R)-Phenyloxirane (A Comparative Theoretical and Spectroscopic Vibrational Study)
- A Theoretical Model to Calculate Fundamental Physical Parameters for Molecule-Particle Interactions
- Birefringences: A Challenge for Both Theory and Experiment
- The Ab Initio Calculation of Optical Rotation and Electronic Circular Dichroism
- Response of a Molecule to Adding or Removing an Electron
- A Non-Iterative Numerical Solver of Poisson and Helmholtz Equations Using High-Order Finite-Element Functions
- Some Trends in Relativistic and Electron Correlation Effects in Electric Properties of Small Molecules
- Restricted Density Functional Response Theory for Open-Shell Systems
- The Multiconfigurational Spin-Tensor Electron Propagator Method (MCSTEP).
