ALGORITHMS AND COMPUTER CODES FOR ATOMIC AND MOLECULAR QUANTUM SCATTERING THEORY VolumeⅡProceedings of the workshop reconvened at Lawrence Berkeley Laboratory October 26-27, 1979

摘要

This workshop has succeeded in bringing up 11 different coupled equation codes on the NRCC computer, testing them against a set of 24 different test problems and making them available to the user community. These codes span a wide variety of methodologies, and factors of up to 300 were observed in the spread of computer times on specific problems. A very effective method was Revised for examining the performance of the individual codes in the different regions of the integration range. Many of the strengths and weaknesses of the codes have been identified. Based on these observations, a hybrid code has been developed which is significantly superior to any single code tested. Thus, not only have the original goals been fully met, the workshop has resulted directly in an advancement of the field.