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Generalization of the superoperator algorithm for large-scale configuration interaction

✍ Scribed by T. T. Klimko; A. L. Vul'fov

Book ID
112366624
Publisher
Springer
Year
1991
Tongue
English
Weight
484 KB
Volume
26
Category
Article
ISSN
0040-5760

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πŸ“œ SIMILAR VOLUMES

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## Abstract Several aspects of the matrix diagonalization method used for CI calculations in the COLUMBUS Program System are discussed, including a linear basis‐contraction algorithm and the use of a nonorthogonal expansion basis. Both of these features significantly reduce the I/O requirements dur