Published July 1996
| Version v1
Journal article
Realization of the finite-element method with a new basis set for calculations of energy spectra of diatomic molecules
- 1. Voronezhskij Gosudarstvennyj Univ., Voronezh (Russian Federation)
Description
Comparative analysis of different finite-element basis sets was conducted. It is shown that finite-element basis functions of high orders are most suitable for quantum-mechanical calculations. Test calculations of total energies and electronic spectra of H2+ and H2 molecules were conducted. 12 refs., 2 figs., 3 tabs
Additional details
Additional titles
- Original title (Russian)
- Реализация метода конечных элементов с новым базисным набором для расчетов энергетических спектров двухатомных молекул
Publishing Information
- Journal Title
- Optika i Spektroskopiya
- Journal Volume
- 81
- Journal Issue
- 1
- Journal Page Range
- p. 52-55.
- ISSN
- 0030-4034
- CODEN
- OPSPAM
INIS
- Country of Publication
- Russian Federation
- Country of Input or Organization
- Russian Federation
- INIS RN
- 28044330
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Resource subtype / Literary indicator
- Numerical Data
- Descriptors DEI
- FINITE ELEMENT METHOD; GROUND STATES; HARTREE-FOCK METHOD; HYDROGEN; HYDROGEN IONS 2 PLUS; MOLECULES; THEORETICAL DATA
- Descriptors DEC
- CALCULATION METHODS; CATIONS; CHARGED PARTICLES; DATA; ELEMENTS; ENERGY LEVELS; HYDROGEN IONS; INFORMATION; IONS; MOLECULAR IONS; NONMETALS; NUMERICAL DATA; NUMERICAL SOLUTION