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
Creators
- 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).