Direct one‐index transformations in multiconfiguration response calculations

The evaluation of gradient vectors of a general operator with one‐index, double‐one‐index, or higher‐order one‐index transformed integrals is a key operation in multiconfiguration response theory calculations. We describe an integral‐driven direct algorithm that carries out this operation efficiently without pretransforming the integrals. The use of this algorithm leads to a considerable reduction in disk space and timing. © 1994 by John Wiley & Sons, Inc.

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