Method of the reduced-added Green function in the calculation of atomic polarizabilities

Journal Article · Tue Feb 01 04:00:00 EST 2005 · Physical Review. A

DOI:https://doi.org/10.1103/PhysRevA.71.022505· OSTI ID:20650072

Chernov, V E; Dorofeev, D L; Kretinin, I Yu; Zon, B A ^[1]

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1. Voronezh State University, Voronezh 394693 (Russian Federation)

The Green function in the quantum defect theory provides an exact account for high-excited and continuum electronic states. We modify it by taking into account the ground and low-excited states using their wave functions calculated ab initio. As an application, we present a simple and efficient semianalytical method for the calculation of atomic electric frequency-dependent scalar dipole polarizability, for both real and imaginary frequencies. The polarizabilities calculated for some atoms (Li, Na, K, Be, Mg, Ca, Si, P, S, O, Al, Ge, C, N, F, He, Ne, Ar, Kr, and Xe) are compared with existing methods of computational quantum chemistry and with experiments; good accuracy of the proposed method is demonstrated.

• OSTI ID: 20650072
• Journal Information: Physical Review. A, Journal Name: Physical Review. A Journal Issue: 2 Vol. 71; ISSN 1050-2947; ISSN PLRAAN
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
ACCURACY
ALUMINIUM
ARGON
ATOMS
BERYLLIUM
CALCIUM
CARBON
DIPOLES
EXCITED STATES
FLUORINE
FREQUENCY DEPENDENCE
GERMANIUM
GREEN FUNCTION
HELIUM
KRYPTON
LITHIUM
MAGNESIUM
NEON
NITROGEN
OXYGEN
PHOSPHORUS
POLARIZABILITY
POTASSIUM
SCALARS
SILICON
SODIUM
SULFUR
WAVE FUNCTIONS
XENON