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Front Cover (Phys. Status Solidi B 8/2010)
Author(s) -
Koval Peter,
Foerster Dietrich,
Coulaud Olivier
Publication year - 2010
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.201090015
Subject(s) - time dependent density functional theory , front cover , kohn–sham equations , physics , formalism (music) , ansatz , basis (linear algebra) , linear combination of atomic orbitals , atomic orbital , excited state , quantum mechanics , density functional theory , basis set , cover (algebra) , mathematics , electron , geometry , engineering , mechanical engineering , art , musical , visual arts
The diagram on the front cover illustrates the calculation of the self‐energy in Hedin's GW approximation using a basis of dominant products. Such a basis is useful in conjunction with the LCAO ansatz for molecular orbitals. It notably simplifies the calculation of properties of excited states in TDDFT (time‐dependent density functional theory), GW and presumably also in BSE (Bethe–Salpeter equation approach). For example, the fourcenter Coulomb integrals do not arise in this formalism. The Feature Article by Koval, Foerster and Coulaud ( pp. 1841–1848 ) demonstrates the usage of the dominant product basis in TDDFT done with the full Kohn–Sham response matrix.