Dissociation energy of diatomic molecules
โ Scribed by T.V. Ramakrishna Rao; R.Ramakrishna Reddy
- Publisher
- Elsevier Science
- Year
- 1981
- Tongue
- English
- Weight
- 234 KB
- Volume
- 25
- Category
- Article
- ISSN
- 0022-4073
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
## m Bond function basis sets combined with the counterpoise procedure are used to calculate the molecular dissociation energies D,, of 24 diatomic molecules and ions. The calculated values of D,, are compared to those without bond functions and/or counterpoise corrections. The equilibrium bond le
N here It' is the Born-Oppenheimer vibrationsl poten-tL1 cncrgq. pp(a) is the electron density dt ~lucleus 0: due to the part of the electron density which perfectly follows nucleus Q during the vibmtion, and simdariy for P,@}. $ve good estimates of both harmonic aud anhsrtnomc vibrational force con