For the first-row open-and closed-shell hydrides and the 6-311 +G(d, p)B and 6-311 +G(Zdf, p)B basis sets, the validity of Pople's higher-order Mgller-Plesset correction is investigated by comparison with augmented coupled cluster energies. A new correction formula is suggested which involves no add
β¦ LIBER β¦
An Alternative to Plemelj-Smithies Formulas on Infinite Determinants
β Scribed by D.H.U. Marchetti
- Book ID
- 102592687
- Publisher
- Elsevier Science
- Year
- 1993
- Tongue
- English
- Weight
- 400 KB
- Volume
- 117
- Category
- Article
- ISSN
- 0022-1236
No coin nor oath required. For personal study only.
β¦ Synopsis
An alternative to Plemelj-Smithies formulas for the (p)-regularized quantities (d^{(p)}(K)) and (D^{(p)}(K)) is presented which generalizes previous expressions with (p=1) due to Grothendieck and Fredholm. Global upper bounds for these quantities are also presented. In particular, we prove that
[
\left|d^{(\rho)}(K)\right| \leqslant e^{k|\kappa|_{r}^{r}}
]
holds with (k=\kappa(p) \leqslant k(\infty)=e^{1 / 4\left(1+e^{1 \pi}\right)}) for (p \geqslant 3) which improves a previous estimate yielding (k(p)=e(2+\ln (p-1)) . \quad(1993) Academic Press, Inc.
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