Published February 1986 | Version v1
Journal article

On semiempirical determination of vibrational-rotational parameters of diatomic molecules. Optimal sets of constants for asup(3) 9sub(g)sup(+), esup(3)9sub(u)sup(+), dsup(3)PIsub(u)sup(+-), fsup(3)9sub(u)sup(+) states of H2

  • 1. Leningradskij Gosudarstvennyj Univ. (USSR)

Description

Possibility of description of electron-vibrational-rotational terms of diatomic molecules with the use of a limited set of molecular constants is investigated. It is shown using the lowest triplet H2 states as an example, that when determining a totality of vibrational-rotational constants of the given electronic state and their covariance matrix, it is necessary to take into account the specific character of the physical problem, for which these constants may be used. The obtained optimal sets of constants are essentially different from the available literature ones. Reasons of disagreement are discussed

Additional details

Additional titles

Original title (Russian)
О полуэмпирическом определении колебательно-вращательных постоянных двухатомных молекул. Оптимальные наборы констант асуп(3)

Publishing Information

Journal Title
Izv. Vyssh. Uchebn. Zaved., Fiz.
Journal Volume
29
Journal Issue
2
Series
Izv. Vyssh. Uchebn. Zaved., Fiz.
Journal Page Range
66-70
ISSN
0021-3411
CODEN
IVUFA

INIS

Country of Publication
Russian Federation
Country of Input or Organization
USSR
INIS RN
18003320
Subject category
S74: ATOMIC AND MOLECULAR PHYSICS;
Resource subtype / Literary indicator
Numerical Data
Descriptors DEI
COMPUTER CALCULATIONS; DATA COVARIANCES; ELECTRONIC STRUCTURE; HYDROGEN; LEAST SQUARE FIT; MOLECULES; ROTATIONAL STATES; THEORETICAL DATA; VIBRATIONAL STATES
Descriptors DEC
DATA; ELEMENTS; ENERGY LEVELS; EXCITED STATES; INFORMATION; MAXIMUM-LIKELIHOOD FIT; NONMETALS; NUMERICAL DATA; NUMERICAL SOLUTION

Optional Information

Notes
For English translation see the journal Soviet Physics Journal (USA).