R.K. Nesbet, R. Colle
Journal of Mathematical Chemistry
Several methods designed to avoid computational anomalies in the multichannel variational formalism of Kohn are considered. Two new methods are proposed. A new variant of the optimized anomaly-free method ensures that the computed K-matrix is symmetric. This method avoids spurious singularities but may give results that vary discontinuously with energy. A second new method, the restricted interpolated anomaly-free method, avoids both singularities and discontinuities, and produces a symmetric K matrix. Two-channel model calculations show that both new methods have accuracy comparable to the earlier anomaly-free and optimized anomaly-free methods. © 1978 The American Physical Society.
R.K. Nesbet, R. Colle
Journal of Mathematical Chemistry
R.K. Nesbet
Computer Physics Communications
R.K. Nesbet
Journal of Magnetism and Magnetic Materials
R.K. Nesbet
Journal of Physics B: Atomic and Molecular Physics