Ab Initio Calculation of the E 1Σg and a 3Σg+ States of the Hydrogen Molecule
✍ Scribed by Gerhauser, John; Taylor, Howard S.
- Book ID
- 121349232
- Publisher
- American Institute of Physics
- Year
- 1965
- Tongue
- English
- Weight
- 405 KB
- Volume
- 42
- Category
- Article
- ISSN
- 0021-9606
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
The two-photon absorption cross section of X IS+ g -(E.F) '$ of Hz has been computed ush~g near full CI wavefunctions. The convergence of the two-photon transition amplitude iskhieved by enforcb the variational wavefunctions to satisfy the off-diagonal S(O) and St--1) sum rules. The theoretical cros
The generalized Heitler-London theory has been implemented for a calculation of the ground state (X 'Cl ) potential of the Hz molecule at distances of R = 1.4 and 8.0 au. With the exact exchange energy and newly calculated accurate overlap integrals, convergence is achieved to better than 1% by expa