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Note on a perturbation theory for intermolecular interactions in the wave operator formalism

✍ Scribed by A. Van Der Avoird

Book ID
107731188
Publisher
Elsevier Science
Year
1967
Tongue
English
Weight
150 KB
Volume
1
Category
Article
ISSN
0009-2614

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πŸ“œ SIMILAR VOLUMES

Wave operator perturbation theory for in
Wave operator perturbation theory for intermolecular interactions a test on H+2
✍ Ad Van der Avoird πŸ“‚ Article πŸ“… 1967 πŸ› Elsevier Science 🌐 English βš– 367 KB

The first-order function an9 the second-orde r energy of a perturbation theory proposed by the present author are evaluated for H2, by means of a Hylleraas variation principle adapted to this theory. It is found that thus a considerable improvement of the wave function and the energy respectively is

A note on the normwise perturbation theo
A note on the normwise perturbation theory for the regular generalized eigenproblem
✍ ValΓ©rie FrayssΓ©; Vincent Toumazou πŸ“‚ Article πŸ“… 1998 πŸ› John Wiley and Sons 🌐 English βš– 95 KB πŸ‘ 2 views

In this paper, we present a normwise perturbation theory for the regular generalized eigenproblem Ax = Ξ»Bx, when Ξ» is a semi-simple and finite eigenvalue, which departs from the classical analysis with the chordal norm [9]. A backward error and a condition number are derived for a choice of flexible