Theoretical Studies of Weak Interactions of Light Atoms.
Abstract
Four new workstations were acquired, and five existing workstations were upgraded to use in continuing investigations of weak interactions between atomic boron and various atomic and molecular partners (Ar, H2, N2). The theoretical techniques used involved (i) the ab initio determination of potential energy surfaces, (ii) the quantum determination of bend-stretch levels of weakly bound complexes, and (iii) the simulation, using genetic algorithm and diffusion Monte-Carlo techniques, of the structure of larger clusters. The acquisition of the new workstations has made possible new calculations, at a level of complexity and sophistication not hitherto possible. These calculations have allowed the interpretation of ongoing, related experimental work at the The Johns Hopkins University.
Document Details
- Document Type
- Technical Report
- Publication Date
- Apr 01, 1996
- Accession Number
- ADA310263
Entities
People
- Millard H. Alexander
Organizations
- University of Maryland