Published November 1, 2010
| Version v1
Journal article
On the calculation of resonances by means of analytic continuation in coupling constant
Creators
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/10.1088/1742-6596/257/1/012002Additional details
Identifiers
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