Search results for "effective hamiltonians"
showing 2 items of 2 documents
Extension of the MIRS computer package for the modeling of molecular spectra : from effective to full ab initio ro-vibrational hamiltonians in irredu…
2012
The MIRS software for the modeling of ro-vibrational spectra of polyatomic molecules was considerably extended and improved. The original version (Nikitin, et al. JQSRT, 2003, pp. 239--249) was especially designed for separate or simultaneous treatments of complex band systems of polyatomic molecules. It was set up in the frame of effective polyad models by using algorithms based on advanced group theory algebra to take full account of symmetry properties. It has been successfully used for predictions and data fitting (positions and intensities) of numerous spectra of symmetric and spherical top molecules within the vibration extrapolation scheme. The new version offers more advanced possib…
Effective hamiltonian approach to the non-Markovian dynamics in a spin-bath
2010
We investigate the dynamics of a central spin that is coupled to a bath of spins through a non-uniform distribution of coupling constants. Simple analytical arguments based on master equation techniques as well as numerical simulations of the full von Neumann equation of the total system show that the short-time damping and decoherence behaviour of the central spin can be modelled accurately through an effective Hamiltonian involving a single effective coupling constant. The reduced short-time dynamics of the central spin is thus reproduced by an analytically solvable effective Hamiltonian model.