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Analysis of ketene cycloadditions by self-consistent perturbation theory

โœ Scribed by Sustmann, Reiner; Ansmann, Achim; Vahrenholt, Fritz


Book ID
126131151
Publisher
American Chemical Society
Year
1972
Tongue
English
Weight
854 KB
Volume
94
Category
Article
ISSN
0002-7863

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Size-consistent self-consistent combinat
โœ J. Meller; J.L. Heully; J.P. Malrieu ๐Ÿ“‚ Article ๐Ÿ“… 1994 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 642 KB

The present work proposes a consistent combination of two recently reported computational schemes, namely a size-consistent selected CI and a non-divergent second-order perturbation evaluation. The method treats large doubles (and any set of higher excited determinants) in a variational manner and t