Published December 10, 1981
| Version v1
Journal article
Finite field configuration interaction calculations on the distance dependence of the hyperpolarizabilities of H2
Description
The results of finite field full CI calculations of the first three non-vanishing (hyper) polarizabilities of the hydrogen molecule are presented: the dipole-field α11, the quadrupole-(field)2 β211 and the dipole-(field)3 γ1111 polarizability. The internuclear distance is varied from 0.2 to 6.0 a0; correlation effects on the (hyper)polarizabilities and their derivatives are investigated. (author)
Additional details
Publishing Information
- Journal Title
- Mol. Phys.
- Journal Volume
- 44
- Journal Issue
- 5
- Series
- Mol. Phys.
- Journal Page Range
- 1215-1227
- ISSN
- 0026-8976
INIS
- Country of Publication
- United Kingdom
- Country of Input or Organization
- United Kingdom
- INIS RN
- 13662510
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- CONFIGURATION INTERACTION; CORRELATIONS; DIPOLES; ELECTRIC FIELDS; HYDROGEN; INTERACTION RANGE; INTERATOMIC DISTANCES; MOLECULAR MODELS; POLARIZABILITY; QUADRUPOLES
- Descriptors DEC
- DISTANCE; ELECTRICAL PROPERTIES; ELEMENTS; MATHEMATICAL MODELS; MULTIPOLES; NONMETALS; PHYSICAL PROPERTIES