Relativistic quantum similarities in atoms in position and momentum spaces
- 1. Departamento de Fisica, Campus de Rabanales Edif. C2, Universidad de Cordoba, E-14071 Cordoba (Spain)
- 2. Departamento de Fisica Atomica, Molecular y Nuclear, Universidad de Granada, E-18071 Granada (Spain)
Description
A study of different quantum similarity measures and their corresponding quantum similarity indices is carried out for the atoms from H to Lr (Z=1-103). Relativistic effects in both position and momentum spaces have been studied by comparing the relativistic values to the non-relativistic ones. We have used the atomic electron density in both position and momentum spaces obtained within relativistic and non-relativistic numerical-parameterized optimized effective potential approximations. -- Highlights: → Quantum similarity measures and indices in electronic structure of atoms. → Position and momentum electronic densities. → Similarity of relativistic and non-relativistic densities. → Similarity of core and valence regions of different atoms. → Dependence with Z along the Periodic Table.
Availability note (English)
Available from http://dx.doi.org/10.1016/j.physleta.2011.05.035Additional details
Identifiers
- DOI
- 10.1016/j.physleta.2011.05.035;
- PII
- S0375-9601(11)00613-X;
Publishing Information
- Journal Title
- Physics Letters. A
- Journal Volume
- 375
- Journal Issue
- 26
- Journal Page Range
- p. 2544-2549
- ISSN
- 0375-9601
- CODEN
- PYLAAG
INIS
- Country of Publication
- Netherlands
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 45055972
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- APPROXIMATIONS; ATOMS; DENSITY; ELECTRON DENSITY; ELECTRONIC STRUCTURE; PERIODIC SYSTEM; RELATIVISTIC RANGE; SPACE; VALENCE
- Descriptors DEC
- CALCULATION METHODS; ENERGY RANGE; PHYSICAL PROPERTIES
Optional Information
- Copyright
- Copyright (c) 2011 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.