Published January 2018 | Version v1
Journal article Metadata-only

(J + 1/2)2 or J(J + 1) as functional for rotational terms in analysis of molecular spectra

Creators

  • 1. Universidad de Costa Rica, Escuela de Quimica, Ciudad Universitaria Rodrigo Facio, San Pedro de Montes de Oca, 11501-2060 (Costa Rica)
  • 2. Simon Fraser University, Department of Mathematics, Centre for Experimental and Constructive Mathematics, 8888 University Drive, Burnaby, British Columbia V5A 1S6 (Canada)

Description

The theoretical and experimental evidence regarding the use of (J + 1/2)2 and J (J + 1) as a functional in formulae for rotational term values in the spectral analysis of a diatomic molecule in electronic state 1Σ is scrutinised. The infrared spectra of HCl serve as examples of the application of the two functionals. The total evidence indicates that (J + 1/2)2 is preferable to J (J + 1) for the stated purpose, confirming Mulliken's statement in 1930. (author)

Availability note (English)

Available on-line: https://revistas.ucr.ac.cr/index.php/cienciaytecnologia/article/view/36404/37076

Additional details

Identifiers

URL
https://revistas.ucr.ac.cr/index.php/cienciaytecnologia/article/view/36404/37076;

Publishing Information

Journal Title
Ciencia y Tecnologia (Online)
Journal Volume
34
Journal Issue
1
Journal Page Range
p. 9-17
ISSN
2215-5708

INIS

Country of Publication
Costa Rica
Country of Input or Organization
Costa Rica
INIS RN
52018231
Subject category
S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; S74: ATOMIC AND MOLECULAR PHYSICS;
Resource subtype / Literary indicator
Numerical Data
Descriptors DEI
EXPERIMENTAL DATA; MOLECULES; ROTATIONAL STATES; SPECTRA; SPECTRAL FUNCTIONS; THEORETICAL DATA
Descriptors DEC
DATA; ENERGY LEVELS; EXCITED STATES; FUNCTIONS; INFORMATION; NUMERICAL DATA

Optional Information

Notes
Refs.