Program obtainable from: CPC Program Library, Queen's Method of solution University of Belfast, N. Ireland (see application form in The fand g integrals are obtained by numerical integration, this issue) using a very efficient Gauss-Mehler quadrature with weight Computer: IBM 370/168;Installation: U
A fast quadrature method for computing diatomic RKR potential curves
β Scribed by Joel Tellinghuisen
- Book ID
- 104109264
- Publisher
- Elsevier Science
- Year
- 1984
- Tongue
- English
- Weight
- 49 KB
- Volume
- 35
- Category
- Article
- ISSN
- 0010-4655
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
A program package is presented which utilizes the Inverted Perturbation Approach (IPA) method for construction of potential energy curves of 1 Ξ£ and 1 Ξ states of diatomic molecules directly from the experimental data. In most cases using the constructed IPA potential one can reproduce the experimen
The need to compute potentials of the form R Γm for m P 1 occur in a variety of areas ranging from electromagnetics to biophysics to molecular dynamics to astrophysics, etc. For instance, Coulomb, London, Lennard-Jones, H-bonds are of the form m ΒΌ 1, 5, 6 (and 12), 10, respectively. For a systems wi