Direct SCF direct static-exchange calculations of electronic spectra

Academic Article
Publication Date:
1997
abstract:
Applications of the direct SCF direct static-exchange method are reviewed for three different types of systems (fret molecules, polymers, and surface adsorbates) and for six types of spectroscopy (X-ray absorption-, -emission-, and -shake-up spectroscopy: ultraviolet photoelectron emission, X-ray Raman and circular dichroism spectroscopy.
Iris type:
01.01 Articolo in rivista
Keywords:
direct methods; excited states; oligomers; adsorbates; X-ray spectra; X-RAY-EMISSION; HARTREE-FOCK CALCULATIONS; FIELD WAVE-FUNCTIONS; PHOTOELECTRON-SPECTRA; CONJUGATED MOLECULES; SURFACE-ADSORBATES; THIN-FILMS; SHAKE-UP; K-EDGES; PHOTOABSORPTION
List of contributors:
Handle:
https://iris.cnr.it/handle/20.500.14243/199419
Published in:
THEORETICAL CHEMISTRY ACCOUNTS (PRINT)
Journal