An espanded orbital and state symmetry analysis of the NH-bond-rupture surfaces of the ground and various excited states of ammonia charities the concept of avoided crossings in this system. The diagrammatic analysis is confirmed by small and large Rydberg-basis-set ab mitio CI calculations on this
Avoided crossings among the excited states of Na He
โ Scribed by C. Bottcher
- Publisher
- Elsevier Science
- Year
- 1973
- Tongue
- English
- Weight
- 382 KB
- Volume
- 18
- Category
- Article
- ISSN
- 0009-2614
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๐ SIMILAR VOLUMES
We present quantum mechanical calculations of the nonadiabatic time-evolution of molecular states in a model system. The simultaneous coherent excitation of two different electronic states is simulated. The repulsive potential energy curves representing the excited states undergo an avoided crossing
Reliable MRD-CI calculations have been carried out on the He: '2: ground and first six excited states. The adiabatic potential energy curves and the non-adiabatic matrix elements at the numerous avoided crossings have been obtained, from these, approximate diabatic curves have been constructed. The