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Nonrelativistic energies for the Be atom: Double-linked Hylleraas–CI calculation

✍ Scribed by Georg Büsse; Heinz Kleindienst; Arne Lüchow

Publisher: John Wiley and Sons
Year: 1998
Tongue: English
Weight: 172 KB
Volume: 66
Category: Article
ISSN: 0020-7608
DOI: 10.1002/(sici)1097-461x(1998)66:3<241::aid-qua5>3.0.co;2-v

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✦ Synopsis

Hylleraas᎐configuration interaction CI calculations have been carried

out with double-linked basis sets for the Be atom. Our best upper bound for the 1 S ground state is E s y14.6673547E . Furthermore, upper bounds for the two lowest 0 h excited 1 S states have been calculated.

📜 SIMILAR VOLUMES

Upper- and lower-bound Hylleraas–CI calc

Upper- and lower-bound Hylleraas–CI calculations for the nonrelativistic Po states of the 4He isotope

✍ Ralf Hilger; Hans-Peter Merckens; Arne Lüchow; Heinz Kleindienst 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 157 KB 👁 2 views

Extensive Hylleraas᎐CI calculations for the lowest P o states of 4 He were performed. The dependence of the variational energy values E on the mass parameter given by s m 2qrm y is discussed. Furthermore, lower bounds to E were calculated He e using variance minimization.