Published October 10, 1986
| Version v1
Journal article
Magnetic effects for the hydrogen molecule in excited states: b3Σ+sub(u) of H2
Creators
- 1. North Carolina Univ., Chapel Hill (USA). Dept. of Chemistry
- 2. Uniwersytet Adama Mickiewicza, Poznan (Poland). Inst. Chemii
Description
Using explicitly correlated wavefunctions, ab initio calculations of the magnetizability chi and rotational g factor for the lowest triplet state of the hydrogen molecule were carried out. The behaviour of the magnetic properties is discussed in terms of the internal structure of the molecule and the electron density. (author)
Additional details
Publishing Information
- Journal Title
- Mol. Phys.
- Journal Volume
- 59
- Journal Issue
- 2
- Series
- Mol. Phys.
- Journal Page Range
- 327-336
- ISSN
- 0026-8976
- CODEN
- MOPHA
INIS
- Country of Publication
- United Kingdom
- Country of Input or Organization
- United Kingdom
- INIS RN
- 18010835
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- ELECTRON DENSITY; ELECTRONIC STRUCTURE; EXCITED STATES; HYDROGEN; MAGNETIZATION; MOLECULES; ROTATION; TRIPLETS; WAVE FUNCTIONS
- Descriptors DEC
- ELEMENTS; ENERGY LEVELS; FUNCTIONS; MAGNETIC MOMENTS; MAGNETIC PROPERTIES; MULTIPLETS; NONMETALS; PHYSICAL PROPERTIES