The optical absorpt,ion and circular dichroisin (CD) of poly-1.-alariine in an a-helical conformation are computed in terms of monomer properties by use of Bogolirtbov exciton theory (a noii-pert.rirbation method). It was shown earlier that a proper formulation of the theory of CI> for large molecul
Piecewise perturbation methods for calculating eigensolutions of a complex optical potential
β Scribed by L.Gr. Ixaru; M. Rizea; T. Vertse
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 833 KB
- Volume
- 85
- Category
- Article
- ISSN
- 0010-4655
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β¦ Synopsis
It is shown that the piecewise perturbation methods provide a powerful numerical tool for solving the complex eigenvalue problem of the SchrOdinger equation in a complex optical potential. One of them, the CPM(2), is compared with the existing NAG subroutines and found substantially faster. We also present appropriate methods to compute the solution in the vicinity of the origin and in the asymptotic region.
π SIMILAR VOLUMES
## Abstract We describe a coupling parameter, that is, perturbation, approach to effectively create and annihilate atoms in the quantum mechanical Hamiltonian within the closed shell restricted HartreeβFock formalism. This perturbed quantum mechanical atom (PQA) method is combined with molecular me