Published November 1, 2009 | Version v1
Journal article

Molecular polarizabilities in quantum defect theory

  • 1. Voronezh State University, Voronezh 394006 (Russian Federation)
  • 2. Troitsk Institute of Innovative and Thermonuclear Research (TRINITI), Troitsk 142190 (Russian Federation)
  • 3. Belgorod State University, Belgorod 308015 (Russian Federation)

Description

The reduced-added Green's function technique in quantum defect approximation is generalized for calculation of dynamic polarizabilities of molecules. The method is applied to alkali metal hydrides and dimers as well to sime other simple molecules. The accuracy achieved in benchmark calculations for H2 molecule is comparable with that of the ab initio methods.

Availability note (English)

Available from http://dx.doi.org/10.1088/1742-6596/194/2/022004

Additional details

Publishing Information

Journal Title
Journal of Physics. Conference Series (Online)
Journal Volume
194
Journal Issue
2
Journal Page Range
[1 p.]
ISSN
1742-6596

Conference

Title
26. international conference on photonic, electronic and atomic collisions
Dates
22-28 Jul 2009
Place
Kalamazoo, MI (United States)

INIS

Country of Publication
United Kingdom
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
42062069
Subject category
S74: ATOMIC AND MOLECULAR PHYSICS;
Resource subtype / Literary indicator
Conference
Descriptors DEI
ACCURACY; ALKALI METALS; APPROXIMATIONS; BENCHMARKS; COMPUTERIZED SIMULATION; DEFECTS; DIMERS; GREEN FUNCTION; HYDRIDES; HYDROGEN; MOLECULES; POLARIZABILITY; QUANTUM MECHANICS
Descriptors DEC
CALCULATION METHODS; ELECTRICAL PROPERTIES; ELEMENTS; FUNCTIONS; HYDROGEN COMPOUNDS; MECHANICS; METALS; NONMETALS; PHYSICAL PROPERTIES; SIMULATION