Effective Hamiltonian for a molecule in a magnetic field
β Scribed by Takehiko Tanaka
- Publisher
- Elsevier Science
- Year
- 1989
- Tongue
- English
- Weight
- 944 KB
- Volume
- 137
- Category
- Article
- ISSN
- 0022-2852
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π SIMILAR VOLUMES
An ab initio effective Hamiltonian method for valence electron calculations, where the core-valence interactions and the relativistic effects are expressed in the spectral representation and not in the traditional local potential form is applied to the relativistic molecule AgH. The calculated bond
It is shown that low-frequency linear responses may be obtained formally from second-order stationary state perturbation theory through the use of effective potentials. The effective potentials are related to time averages of Heisenberg operators.
A complete expression of the effective Hamiltonian, and of the generators of its transformation to the reduced form, is considered as a Taylor series in dynamic variables for the \(E\)-type vibrational state of a rigid molecule with a point symmetry group \(C_{3 \mathrm{v}}\). The suggested reductio