Uses of dipole oscillator strength sum rules in second order perturbation theory

Thesis/Dissertation · Sun Jan 01 04:00:00 EST 1984

OSTI ID:5748752

Struensee, M C

Certain moments of the dipole oscillator strength distribution of atoms and molecules can be calculated from theory (using sum rules) or deduced from experiment. The present work describes the use of these moments to construct effective distributions which lead to bounds and estimates of physical properties of interest. Asymptotic analysis is then used to obtain the high energy behavior of the oscillator strength density and a previously unknown sum rule for atoms and molecules. A new type of effective distribution, which incorporates the information concerning the asymptotic behavior and the new sum rule, is suggested. This new type of distribution is used to calculate the logarithmic mean excitation energies for the ground states of atomic hydrogen, atomic helium and the negative hydrogen ion. The calculations for atomic helium and the negative hydrogen ion require the evaluation of certain ground state expectation values. These have been calculated using high accuracy wavefunctions containing the nonconventional terms shown by Fock to be necessary for a correct analytic expansion when both electrons are near the nucleus.

• Research Organization: Texas Univ., Austin (USA)
• OSTI ID: 5748752
• Country of Publication: United States
• Language: English

Related Subjects

640302* -- Atomic
Molecular & Chemical Physics-- Atomic & Molecular Properties & Theory
74 ATOMIC AND MOLECULAR PHYSICS
ASYMPTOTIC SOLUTIONS
ATOMS
CATIONS
CHARGED PARTICLES
CROSS SECTIONS
ELEMENTS
EQUATIONS
EXCITATION FUNCTIONS
FLUIDS
FUNCTIONS
GASES
HELIUM
HYDROGEN
HYDROGEN IONS
HYDROGEN IONS 1 PLUS
IONS
MOLECULES
NONMETALS
OSCILLATOR STRENGTHS
PERTURBATION THEORY
RARE GASES
SUM RULES