Published December 1988
| Version v1
Journal article
The concept of energy densities and stress fields and its applications in quantum mechanical Coulomb systems within the Born-Oppenheimer approximation
Description
Recent papers and ideas concerning the global stress tensor for crystals (obtained by a scaling of the total energy) as well as local stress and local energy (expressed by reduced density matrices or by Kohn-Sham orbitals) and related theorems and quantities like local momentum balances, forces, force sum rules, defect energies and defect stresses for perturbed crystals (surfaces, interfaces, point defects) are summarized. A new method for the calculation of relaxation or restoring forces is emphasized. (author)
Additional details
Publishing Information
- Journal Title
- Annalen der Physik (Leipzig)
- Journal Volume
- 45
- Journal Issue
- 8
- Series
- Ann. Phys. (Leipzig).
- Journal Page Range
- 626-633
- ISSN
- 0003-3804
- CODEN
- ANPYA
INIS
- Country of Publication
- Germany
- Country of Input or Organization
- German Democratic Republic
- INIS RN
- 20049867
- Subject category
- S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS;
- Descriptors DEI
- BORN-OPPENHEIMER APPROXIMATION; CRYSTALS; DENSITY MATRIX; ELECTRONIC STRUCTURE; ENERGY DENSITY; FUNCTIONALS; INTERFACES; LOCALITY; POINT DEFECTS; QUANTUM MECHANICS; RELAXATION; STRESSES; SUM RULES; SURFACES; TENSOR FORCES
- Descriptors DEC
- CRYSTAL DEFECTS; CRYSTAL STRUCTURE; EQUATIONS; MATRICES; MECHANICS