Published 1978
| Version v1
Book
Diabatic molecular orbitals in atomic collisions (outer shell excitation)
Description
Various methods are considered for obtaining diabatic molecular orbitals: (i) a perturbation method; (ii) a smoothless criteria, in which the diabatic molecular orbitals wavefunctions are required to have a smooth R dependence. In particular, three new methods of type (ii) are presented and applied to the Ne2 system. Hence this gives the opportunity of studying the effects of crossing between some symmetry molecular orbitals in a closed shell system
Additional details
Publishing Information
- Publisher
- North-Holland.
- Imprint Place
- Amsterdam, Netherlands
- ISBN
- 0 444 85003 1
- Imprint Title
- Proceedings of the 10th international conference on the physics of electronic and atomic collisions
- Journal Page Range
- p. 431-443.
Conference
- Title
- 10. international conference on the physics of electronic and atomic collisions.
- Dates
- 21 - 27 Jul 1977.
- Place
- Paris, France.
INIS
- Country of Publication
- Netherlands
- Country of Input or Organization
- Netherlands
- INIS RN
- 9412536
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Resource subtype / Literary indicator
- Conference
- Descriptors DEI
- ATOM-ATOM COLLISIONS; DIABATIC APPROXIMATION; EXCITATION; MATRIX ELEMENTS; MOLECULAR ORBITAL METHOD; NEON; PERTURBATION THEORY; POTENTIAL ENERGY; WAVE FUNCTIONS
- Descriptors DEC
- ATOM COLLISIONS; COLLISIONS; ELEMENTS; ENERGY; ENERGY-LEVEL TRANSITIONS; FUNCTIONS; NONMETALS; RARE GASES