✦ LIBER ✦
Two-centre linear pseudostate calculation including exchange of chemical and van der Waals interactions for the hydrogen molecule ion
✍ Scribed by Valerio Magnasco; Giuseppe Figari; Andrea Siciliano
- Publisher
- Elsevier Science
- Year
- 1992
- Tongue
- English
- Weight
- 609 KB
- Volume
- 199
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
✦ Synopsis
Rayleigh-Schr6dinger perturbation theory including exchange based upon an unpartitioned Hamiltonian and properly symmetrized vs has been applied to the ground and the first excited state of the hydrogen molecule ion. Expansion of the first-order function in terms of two-centre linear pseudostates involving powers of confocal spheroidal coordinates rapidly converges to highly accurate results for both states.