Energetics and dynamics of excess electrons in simple fluids

Miscellaneous · Wed Jan 01 00:00:00 EST 1992

OSTI ID:7056809

Space, B

Excess electronic dynamical and equilibrium properties are modeled in both polarizable and nonpolarizable noble gas fluids. Explicit dynamical calculations are carried out for excess electrons in fluid helium, where excess electronic eigenstates are localized. Energetics and dynamics are considered for fluids which span the entire range of polarizability present in the rare gases. Excess electronic eigenstates and eigenvalues are calculated for fluids of helium, argon and xenon. Both equilibrium and dynamical information is obtained from the calculation of these wavefunctions. A surface hopping trajectory method for studying nonadiabatic excess electronic relaxation in condensed systems is used to explore the nonadiabatic relaxation after photoexciting an equilibrated excess electron in dense fluid helium. The different types on nonadiabatic phenomena which are important in excess electronic relaxation are surveyed. The same surface hopping trajectory method is also used to study the rapid nonadiabatic relaxation after an excess electron is injected into unperturbed fluid helium. Several distinctively different relaxation processes, characterized by their relative importance at different times during the relaxation to a localized equilibrium state, are detailed. Though the dynamical properties of excess electrons under the conditions considered here have never been studied before, the behavior is remarkably similar to that observed in both experimental and theoretical studies of electron hydration dynamics, indicating that the processes described may be very general relaxation mechanisms for localization and trapping in fluids. Additionally, ground state energies of an excess electron, e[sub 0], are computed as a function of solvent density using model electron-atom pseudopotentials in fluid helium, argon, and xenon. The nonuniqueness of the pseudopotential description of electron-molecule interactions is demonstrated.

• Research Organization: Boston Univ., MA (United States)
• OSTI ID: 7056809
• Resource Relation: Other Information: Ph.D. Thesis
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ELECTRONS
DYNAMICS
FLUIDS
POLARIZATION
RARE GASES
ARGON
EIGENVALUES
EIGENVECTORS
EQUILIBRIUM
EXCITED STATES
HELIUM
POLARIZABILITY
RELAXATION
TRAPPING
WAVE FUNCTIONS
XENON
ELECTRICAL PROPERTIES
ELEMENTARY PARTICLES
ELEMENTS
ENERGY LEVELS
FERMIONS
FUNCTIONS
GASES
LEPTONS
MECHANICS
NONMETALS
PHYSICAL PROPERTIES
665430* - Other Topics in Quantum Fluids & Solids- (1992-)