Published April 2011
| Version v1
Journal article
Theoretical study on the interaction potential and bound states of the Ne-BeH complex
Creators
- 1. Department of Physics, Huainan Normal University, Huainan (China)
Description
The first two-dimensional potential energy surface for the Ne-BeH van der Waals interaction is calculated by the single and double excitation coupled-cluster theory with noniterative treatment of triple excitations [CCSD (T)]. Mixed basis sets, aug-cc-pVQZ for the Be, H and Ne atom, with an additional (3s3p2d1f1g) set of midbond functions are used. There is a single global minimum at Re=6.95 a0 and θe=72.5 degree with well depth -34.43607 cm-1. Based on the potential, the rovibrational energy level structure of the Ne-BeH complex is also investigated. (authors)
Additional details
Publishing Information
- Journal Title
- Journal of Atomic and Molecular Physics
- Journal Volume
- 28
- Journal Issue
- 2
- Journal Page Range
- p. 232-236
- ISSN
- 1000-0364
INIS
- Country of Publication
- China
- Country of Input or Organization
- China
- INIS RN
- 43084884
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- ATOM-MOLECULE COLLISIONS; ATOMS; BERYLLIUM HYDRIDES; DEPTH; ENERGY LEVELS; EXCITATION; FUNCTIONS; INTERACTIONS; LEAST SQUARE FIT; NEON; POTENTIAL ENERGY; POTENTIALS; TWO-DIMENSIONAL CALCULATIONS; VAN DER WAALS FORCES
- Descriptors DEC
- ALKALINE EARTH METAL COMPOUNDS; ATOM COLLISIONS; BERYLLIUM COMPOUNDS; COLLISIONS; DIMENSIONS; ELEMENTS; ENERGY; ENERGY-LEVEL TRANSITIONS; FLUIDS; GASES; HYDRIDES; HYDROGEN COMPOUNDS; MATHEMATICAL SOLUTIONS; MAXIMUM-LIKELIHOOD FIT; MOLECULE COLLISIONS; NONMETALS; NUMERICAL SOLUTION; RARE GASES
Optional Information
- Notes
- 2 figs., 2 tabs., 20 refs.