Quantum-mechanical stress field in H2+
Abstract
A calculation of the stress field in the H(2+) ion is presented. This stress field consists of a configuration-dependent part due to the interactions between the constituent particles and a quantum-mechanical flux density term due to the motion of the electron. The total stress field directly reflects the bonding in the ion, and may provide a tool for the more general study of the local structural properties of molecules and solids.
- Publication:
-
Journal of Physics B Atomic Molecular Physics
- Pub Date:
- August 1990
- DOI:
- 10.1088/0953-4075/23/15/011
- Bibcode:
- 1990JPhB...23.2427G
- Keywords:
-
- Hydrogen;
- Molecular Ions;
- Quantum Mechanics;
- Stress Distribution;
- Chemical Bonds;
- Configuration Interaction;
- Wave Functions;
- Atomic and Molecular Physics