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Algebraic diagrammatic construction scheme

Starcke JH, Wormit M, Dreuw A (2009) Unrestricted algebraic diagrammatic construction scheme of second order for the calculation of excited states of medium-sized and large molecules. J Chem Phys 130 024104... [Pg.31]

The valence shell photoelectron spectra of thiophene, 2-chlorothiophene (2-Cl-Th), and 3-chlorothiophene (3-Cl-Th) have been investigated theoretically and experimentally. The third-order algebraic-diagrammatic construction approximation scheme for the one-particle Green s function has been employed to evaluate the vertical ionization energies. [Pg.635]

See other pages where Algebraic diagrammatic construction scheme is mentioned: [Pg.705]    [Pg.7]    [Pg.705]    [Pg.7]    [Pg.79]    [Pg.145]    [Pg.336]    [Pg.337]    [Pg.161]    [Pg.169]    [Pg.1202]    [Pg.1204]   


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Algebraic diagrammatic construction

Diagrammatic

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