✦ LIBER ✦
Steepest descent perturbation theory for a non-linear schrödinger equation describing the solvent-molecule interaction
✍ Scribed by J. Cioslowski
- Publisher
- Elsevier Science
- Year
- 1987
- Tongue
- English
- Weight
- 365 KB
- Volume
- 137
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
A steepest descent optimization of an appropriate energy functional is used to construct a perturbation theory for a non-linear Schrijdinger equation of the type ( fi+ (Y ( $I& I$)& 14) =E I@) describing the solvent-molecule interaction in the dipole approximation. One step of this procedure results in an upper bound to the total energy which can be easily computed for most practical applications. Some special cases of this approach are discussed and a numerical example is given. The new method provides better results than the Sutjan-Angyan perturbation theory.