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Artificial molecules
Author(s) -
Jaskólski W.,
Bryant G. W.,
Planelles J.,
Zieliński M.
Publication year - 2002
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.10331
Subject(s) - antibonding molecular orbital , nanocrystal , quantum dot , molecule , wave function , atomic orbital , chemical physics , chemistry , materials science , molecular physics , nanotechnology , physics , atomic physics , quantum mechanics , electron
Double semiconductor nanocrystals, called artificial molecules by analogy to artificial atoms (quantum dots), are investigated. Empirical tight‐binding and k · p theories are used to obtain electronic structure, charge density distributions, and optical absorption spectra for single and double nanocrystals. We show how the bonding and antibonding molecular orbitals are formed from the wavefunctions of individual nanocrystals when the nanocrystals are joined together to form an artificial molecule. Formation of quantum dot lattices and interpretation of experimental data for close‐packed solids of nanocrystals are discussed. © 2002 Wiley Periodicals, Inc. Int J Quantum Chem, 2002