Published 1992 | Version v1
Journal article

Calculation of spectroscopic constants of ZnO, CdO and HgO molecules using Χα-SW

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