Published 1992
| Version v1
Journal article
Calculation of spectroscopic constants of ZnO, CdO and HgO molecules using Χα-SW
Creators
Description
In the framework of spin-restricted and quasirelativistic variants of the method SCF-Xα of scattered waves in the approximation of overlapping atomic spheres fragments of potential curves were constructed and spectroscopic constants Te, ωe, Re of ZnO, CdO and HgO molecules in basic and lower excited electron states were calculated. The strengths of oscillators of monoelectron transitions related to the states were also calculated
Additional details
Additional titles
- Original title (Russian)
- Расчет спектроскопических постоянных молекул ZnO, CdO и HgO методом Χ
Publishing Information
- Journal Title
- Vestnik Moskovskogo Universiteta, Seriya 2. Khimiya
- Journal Volume
- 33
- Journal Issue
- 2
- Journal Page Range
- p. 122-127.
- ISSN
- 0579-9384
- CODEN
- VMUKA5
INIS
- Country of Publication
- Russian Federation
- Country of Input or Organization
- Russian Federation
- INIS RN
- 24034374
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- CADMIUM OXIDES; ELECTRONIC STRUCTURE; ENERGY-LEVEL TRANSITIONS; EXCITED STATES; LCAO METHOD; MOLECULES; OSCILLATOR STRENGTHS; SELF-CONSISTENT FIELD; SPECTROSCOPY
- Descriptors DEC
- CADMIUM COMPOUNDS; CALCULATION METHODS; CHALCOGENIDES; ENERGY LEVELS; OXIDES; OXYGEN COMPOUNDS