𝔖 Bobbio Scriptorium
✦   LIBER   ✦

The calculation of molecular multiphoton processes using the R-matrix-Floquet method

✍ Scribed by J. Colgan; D.H. Glass; K. Higgins; P.G. Burke


Publisher
Elsevier Science
Year
1998
Tongue
English
Weight
844 KB
Volume
114
Category
Article
ISSN
0010-4655

No coin nor oath required. For personal study only.

✦ Synopsis


A unified R-matrix-Floquet theory, which previously enabled the interaction of intense laser fields with complex atoms and atomic ions to be calculated in a fully nonperturbative manner, has been extended to enable the interaction of intense laser fields with complex diatomic molecules to be treated. The theory takes advantage of the R-matrix division of configuration space into internal and external regions and treats the interaction between the laser field and the target molecule in each region using the most appropriate form of the interaction Hamiltonian. This enables standard multi-centre electron-molecule scattering programs to be modified in a straightforward way to solve the problem in the internal region and single-centre atomic multiphoton propagator methods to be extended to solve the problem in the external region. In this paper, these new theoretical and computational developments are summarised and the first multiphoton ionisation calculations for H2 are presented. (~) 1998 Elsevier Science B.V.


πŸ“œ SIMILAR VOLUMES


The use of the R-matrix method in atomic
✍ W.D. Robb πŸ“‚ Article πŸ“… 1972 πŸ› Elsevier Science 🌐 English βš– 323 KB

A brief account is given of the applicability of the R-matrix method to the calculation of e -atom scattering cross sections, atomic polarizabilities and van der Waals coefficients, photoionization cross sections. nonlinear. optical harmonic coefficients. Born ionization cross sections and free --fr

Calculation of DFT molecular properties
✍ Fernando C. Rangel; Heibbe C.B. de Oliveira; AdΓ£o L.B. Montel; Kleber C. Mundim πŸ“‚ Article πŸ“… 2010 πŸ› Elsevier Science 🌐 English βš– 408 KB

In this paper the accuracy of the q-Integral method is evaluated in several molecular properties of the H 2 system using the Density Functional Theory (DFT). The q-Integral method is an alternative approach to evaluate two-electron integrals where the CPU time is substantially less than usual. For t