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Improved formula for evaluating color-differential thresholds

✍ Scribed by Garcia, José A. ;Romero, Javier ;Barco, Luis Jiménez del ;Hita, Enrique

Book ID
115342423
Publisher
The Optical Society
Year
1992
Tongue
English
Weight
627 KB
Volume
31
Category
Article
ISSN
1559-128X

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Improved CI formula evaluation: Elimination of the phase determination at the determinant level for arbitrarily coupled CSFs
✍ Charles W. Bauschlicher Jr.; Byron H. Lengsfield III 📂 Article 📅 1981 🏛 John Wiley and Sons 🌐 English ⚖ 341 KB

## Abstract The amount of work needed to evaluate the matrix elements in a configuration interaction calculation can be very large. This is especially true if the phase associated with bringing determinants into maximum coincidence is evaluated at the determinant level. A method is presented which