Electron excitation dynamics, localization, and solvation in small clusters

Journal Article · Thu Sep 10 04:00:00 EDT 1987 · J. Phys. Chem.; (United States)

DOI:https://doi.org/10.1021/j100303a005· OSTI ID:6014001

Landman, U; Barnett, R N; Cleveland, C L; Scharf, D; Jortner, J

The energetics and dynamics of electronically excited rare-gas clusters and modes of electron attachment and solvation in alkali halide clusters and in water clusters are investigated by classical and quantum path-integral molecular dynamics techniques. The authors demonstrate the versatility and degree of spatial and temporal detail afforded by computer simulations and the new avenues which such studies open for studies of physical and chemical phenomena, not accessible by other modes of investigation.

• Research Organization: Georgia Institute of Technology, Atlanta
• DOE Contract Number: FG05-86ER45234
• OSTI ID: 6014001
• Journal Information: J. Phys. Chem.; (United States), Journal Name: J. Phys. Chem.; (United States) Vol. 91:19; ISSN JPCHA
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
ADDUCTS
AFFINITY
ALKALI METAL COMPOUNDS
ARGON
CHLORIDES
CHLORINE COMPOUNDS
CLASSICAL MECHANICS
COMPUTERIZED SIMULATION
DATA
DYNAMICS
ELEMENTS
ENERGY LEVELS
EXCITED STATES
FLUIDS
GASES
HALIDES
HALOGEN COMPOUNDS
HYDROGEN COMPOUNDS
INFORMATION
LENNARD-JONES POTENTIAL
MECHANICS
NONMETALS
NUMERICAL DATA
OXYGEN COMPOUNDS
POTENTIALS
QUANTUM MECHANICS
RARE GASES
RYDBERG STATES
SIMULATION
SODIUM CHLORIDES
SODIUM COMPOUNDS
SOLVATION
THEORETICAL DATA
WATER