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Abstract
The fundamental work of Balslev, Combes, and Simon has provided a mathematical foundation for the description of atomic and molecular resonances by the complex-rotation method. In the present paper we discuss some formal properties of the complex-rotated hamiltonian operators and the variational criteria for the approximation of their resonance eigenvalues. These criteria are employed in numerical studies of the complex-rotation method, which is illustrated and compared with various stabilization procedures in an application to a simple model potential. We propose a virial-scaling procedure for determining variationally optimal estimates of the resonance position and lifetime and apply the technique to the helium (2s)2 auto-ionizing resonance. Our results lend support to the idea that resonance features in the continuous spectrum can be successfully described by techniques similar to those employed for bound states.
This research was supported by National Science Foundation Grants CHE74-17494 and CHE76-22760.
This research was supported by National Science Foundation Grants CHE74-17494 and CHE76-22760.
Notes
This research was supported by National Science Foundation Grants CHE74-17494 and CHE76-22760.