𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Spectral Shift Function in the Large Coupling Constant Limit

✍ Scribed by O Safronov


Publisher
Elsevier Science
Year
2001
Tongue
English
Weight
148 KB
Volume
182
Category
Article
ISSN
0022-1236

No coin nor oath required. For personal study only.

✦ Synopsis


Given two selfadjoint operators H 0 and V=V + &V & , we study the spectrum of the operator H(:)=H 0 +:V, :>0. We consider the quantity !(*, H(:), H 0 ), * # R, which coincides with Krein's spectral shift function of the pair H(:), H 0 if V is of trace class and study its asymptotic behavior as : Ä . Applications to differential operators are given. 2001 Academic Press !(*, :)=tr(E H 0 (& , *)&E H(:) (& , *)).


📜 SIMILAR VOLUMES


The Calculation of Indirect Nuclear Spin
✍ Mark A. Watson; Paweł Sałek; Peter Macak; Michał Jaszuński; Trygve Helgaker 📂 Article 📅 2004 🏛 John Wiley and Sons 🌐 English ⚖ 372 KB 👁 1 views

## Abstract We present calculations of indirect nuclear spin–spin coupling constants in large molecular systems, performed using density functional theory. Such calculations, which have become possible because of the use of linear‐scaling techniques in the evaluation of the Coulomb and exchange‐cor

Isotope effects on the 13C chemical shif
✍ N. M. Sergeyev; N. D. Sergeyeva; W. T. Raynes 📂 Article 📅 1994 🏛 John Wiley and Sons 🌐 English ⚖ 489 KB

## Abstract Carbon–proton and carbon–deuteron coupling constants were measured in the isotopomers CH~2~Cl~2~, CHDCl~2~ and CD~2~Cl~2~. The primary and secondary isotope effects on the carbon–proton coupling are −0.60 (±0.05) and −0.25 (±0.01) Hz, respectively. The deuterium‐induced ^13^C isotope sh

The performance of hybrid density functi
✍ Ola B. Lutnæs; Torgeir A. Ruden; Trygve Helgaker 📂 Article 📅 2004 🏛 John Wiley and Sons 🌐 English ⚖ 164 KB 👁 1 views

Density functional theory, in particular, with the Becke-3-parameter-Lee-Yang-Parr (B3LYP) hybrid functional, has been shown to be a promising method for the calculation of indirect nuclear spin-spin coupling constants. However, no systematic investigation has so far been undertaken to evaluate the