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Calculation of Matrix Elements for Optical Transitions
Author(s) -
Fritzsche V.
Publication year - 1988
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2221480137
Subject(s) - matrix (chemical analysis) , matrix element , element (criminal law) , wave function , physics , mathematics , materials science , quantum mechanics , particle physics , law , political science , composite material
A careful analysis of the formulas for optical interband matrix elements yields expressions in which additional surface integrals appear. These additional terms cannot be neglected in calculations of optical properties, because both the initial and the final states have extended wave functions. – A calculation of the imginary part of ϵ(0, ω) for copper shows that an application of the ∇ V ‐matrix element leads to considerable errors at low exciting energies.