ISSN:
1089-7690
Quelle:
AIP Digital Archive
Thema:
Physik
,
Chemie und Pharmazie
Notizen:
The resonances obtained by a method, which is based on the original work of Datta and Chu [Chem. Phys. Lett. 87, 357 (1982)] and of Schneider [Chem. Phys. Lett. 31, 237 (1975); Phys. Rev. A 11, 1957 (1975)], are studied for a one-dimensional model, for a two-dimensional model suggested by Chu, describing rotational predissociation in van der Waals complexes, and for the variational predissociation of Ne–ICl in the adiabatic approximation for a potential surface given by Delgado-Barrio and Villarreal (to be published). The resonance positions and widths are associated with the complex eigenvalues of a complex matrix obtained by a product of three matrices St H S, where H is the Hermitian Hamiltonian matrix, and S is an overlap matrix between complex scaled and unscaled basis functions. The method has the advantage of being applicable to potentials given numerically on the real axis. It also avoids the need to construct a new complex Hamiltonian matrix for each scaling angle, as is the case in the complex coordinate method.
Materialart:
Digitale Medien
URL:
http://dx.doi.org/10.1063/1.458467
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