Corrigendum to “Investigation of quantum effects on vibrational excitation of CF3Br scattering from graphite” [Chem. Phys. 285 (2002) 233–244]

Back, Andreas; Markovíc, Nikola

doi:10.1016/s0301-0104(02)00956-4

Chemical Physics

2003

DOI: 10.1016/s0301-0104(02)00956-4

|View full text |Cite

Corrigendum to “Investigation of quantum effects on vibrational excitation of CF3Br scattering from graphite” [Chem. Phys. 285 (2002) 233–244]

Andreas Back

Nikola Markovíc

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...

Citation Types

Supporting

Mentioning

Contrasting

Year Published

2005

Publication Types

Select...

Article1

Relationship

Self Cite0

Independent1

Authors

Journals

Cited by 1 publication

References 1 publication

Supporting

Mentioning

Contrasting

Order By: Relevance

Comparison of classical and quantum dynamics for collinear cluster scattering

Back

Markovíc

2005

The Journal of Chemical Physics

View full text Add to dashboard Cite

The collinear dynamics of a cluster of four particles colliding with a fixed particle representing a surface is investigated using a four-dimensional wave packet approach. The properties of the system are chosen to resemble a water cluster interacting with graphite, but a deeper surface-particle potential is also considered causing significant dissociation of the cluster. Having four different product arrangement channels the system is quantum mechanically demanding but still manageable. The dynamical richness makes it a suitable benchmark system for evaluation of classical and quantum/classical schemes. The average energy transferred to the cluster and the three dissociation probabilities are presented as function of the initial state of the cluster. In addition to wave packet data, results obtained using quasiclassical as well as Wigner sampled classical trajectories are presented. The main conclusion is that classical mechanics can describe the dynamics of the system in a very satisfactory way. Including zero-point energy in the classical simulations is particularly important for a good description of dissociation but less important for energy transfer.

show abstract

Comparison of classical and quantum dynamics for collinear cluster scattering

Back

Markovíc

2005

The Journal of Chemical Physics

View full text Add to dashboard Cite

show abstract

scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.

Contact Info

hi@scite.ai

10624 S. Eastern Ave., Ste. A-614

Henderson, NV 89052, USA

Blog Terms and Conditions API Terms Privacy Policy Contact Cookie Preferences Do Not Sell or Share My Personal Information

Made with 💙 for researchers

Part of the Research Solutions Family.

Corrigendum to “Investigation of quantum effects on vibrational excitation of CF3Br scattering from graphite” [Chem. Phys. 285 (2002) 233–244]

Cited by 1 publication

References 1 publication

Comparison of classical and quantum dynamics for collinear cluster scattering

Comparison of classical and quantum dynamics for collinear cluster scattering

Contact Info

Product

Resources

About