Published November 1, 2010 | Version v1
Journal article

On the calculation of resonances by means of analytic continuation in coupling constant

Description

The method of analytic continuation in the coupling constant in combination with the use of statistical Pade approximation designed to determine resonance parameters is introduced. It is shown that standard quantum chemistry codes provide accurate data which can be used for the process of analytic continuation in coupling constant. Resonance parameters, both the energy and the width, can be inferred for real molecules with accuracy comparable to other more elaborated methods.

Availability note (English)

Available from http://dx.doi.org/10.1088/1742-6596/257/1/012002

Additional details

Publishing Information

Journal Title
Journal of Physics. Conference Series (Online)
Journal Volume
257
Journal Issue
1
Journal Page Range
[7 p.]
ISSN
1742-6596

Conference

Title
25. summer school and international symposium on the physics of ionized gases
Acronym
SPIG 2010
Dates
30 Aug - 3 Sep 2010
Place
Donji Milanovac (Serbia)

INIS

Country of Publication
United Kingdom
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
43034245
Subject category
S74: ATOMIC AND MOLECULAR PHYSICS;
Resource subtype / Literary indicator
Conference
Descriptors DEI
ACCURACY; CHEMISTRY; COMPUTER CODES; COMPUTERIZED SIMULATION; COUPLING CONSTANTS; MOLECULES; PADE APPROXIMATION; RESONANCE
Descriptors DEC
APPROXIMATIONS; CALCULATION METHODS; SIMULATION