A Calculation of Absorption Potentials for Low Energy Electrons in MgO, 2H-MoS2, and 2H-NbSe2
β Scribed by A. E. Smith
- Publisher
- John Wiley and Sons
- Year
- 1984
- Tongue
- English
- Weight
- 481 KB
- Volume
- 123
- Category
- Article
- ISSN
- 0370-1972
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
## Abstract In the present paper, kinetic isotope effects of the title reaction are studied with canonical variational transition state theory on the modified Wang Bowman (MWB) potential energy surface (PES) (__Chem Phys Lett__ 2005, 409, 249) and the ab initio calculations at the quadratic configu
The Schrodinger equation for the scattering of an electron by a hydrogen molecule is solved by the finite element method, in spherical coordinates, using fifth-order Hermite interpolating polynomials. The computational method is quite similar to the w Ε½ . x work of Shertzer and Botero Phys. Rev. A
Using recently published potential energy surfaces, rovibrational energy levels are computed for the ground electronic states of H O and NO , using three-2 2 Ε½ . dimensional discrete variable representation DVR algorithms. Calculations are presented for H O to demonstrate the accuracy of these algor