DFT-LDA molecular dynamics of molecular collision processes

✍ Scribed by J. Schulte; G. Seifert

• Book ID: 103034393
• Publisher: Elsevier Science
• Year: 1994
• Tongue: English
• Weight: 583 KB
• Volume: 221
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(94)00258-4

✦ Synopsis

LDA scheme has been developed recently and applied to simulations of molecule-cluster and cluster-cluster collisions. The extension of such calculations under the consideration of the statistics in molecular beam collision processes is demonstrated. Collisions are simulated considering possible internal temperatures, a b2 distribution for the collision impact parameter and a statistical distribution of relative orientations of the colliding particles. First results on collisions of carbon clusters with hydrogen molecules are presented.