Calculation of the ground state of the hydrogen peroxide and hydrazine molecules in the two-center approximation
β Scribed by V. P. Bulychev
- Book ID
- 112362201
- Publisher
- Springer
- Year
- 1971
- Tongue
- English
- Weight
- 162 KB
- Volume
- 4
- Category
- Article
- ISSN
- 0040-5760
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
Potential energy curves far the ground state X ' Bgf and for the b "Et state of the hydrogen molecule have been cakulated for internuclear distances 6 4 R Q 12 au. The wavefunctions were represented by 60-term expansions in elliptic coordinates including the interelectronic distance. Improvement ove
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