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Electronic structure of the lowest 1A1 and 3B1 states of cyclopropenylidene

✍ Scribed by Shepard, Ron; Banerjee, Ajit; Simons, Jack

Book ID: 127050957
Publisher: American Chemical Society
Year: 1979
Tongue: English
Weight: 676 KB
Volume: 101
Category: Article
ISSN: 0002-7863
DOI: 10.1021/ja00515a004

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## Abstract Combined CI‐HY method calculations are reported for the ground and first three excited __S__ states of He with an error on the order of 10^−7^ a.u. within the same 120‐term basis. For He ^1^__P__, the four lowest states are obtained with an error ≤2 × 10^−6^ a.u. within the same 102‐ter