Investigation of a technique for calculating energy- independent effective interactions
β Scribed by M.R. Meder; S.W. Walker; B.R. Caldwell
- Publisher
- Elsevier Science
- Year
- 1993
- Tongue
- English
- Weight
- 687 KB
- Volume
- 556
- Category
- Article
- ISSN
- 0375-9474
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
## Abstract It has been shown that experimental errors of the initial conditions of a secondβorder reaction can cause erroneous results with the rate constant calculated directly from the differential or integrated rate expression. By means of a computer method, a differential technique has been de
We studied the transferability of the localized orbitals (LOs) of interacting Ne atoms using several basis sets. Both at SCF and at MP2 and MP3 levels, the contributions of the LOs have been calculated and discussed for the Nez and Ne, systems. It was shown that for the LOs the transferability is s