Algebraic diagrammatic construction

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. 

ADC (2) algebraic diagrammatic construction (second order) (Sections VI and VII. D),... 

Also the algebraic diagrammatic construction (ADC) method that was discussed in Section VI has been applied to the polarization propagator (Schirmer, 1982). Diagrammatic rules, rather than the analytic derivation used in SOPPA, are applied to formulate the second-order ADC(2) and basically the same approximation is obtained. 

Propagator Calculations for Large Molecules Determination of Transition Eigenvalues with a Subspace Bisection Method in the Diagonal Algebraic Diagrammatic Construction Approximation... 

Propagator calculations for large molecules Determination of transition eigenvalues with a subspace bisection method in the diagonal algebraic diagrammatic construction approximation... 

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... 

Sous J, Goel P, Nooijen M. Similarity transformed equation of motion coupled cluster theory revisited a benchmark study of valence excited states. Mol Phys. 2013 112 616-638. Trofimov AB, Krivdina IL, Weller J, Schimer J. Algebraic-diagrammatic construction propagator approach to molecular response properties. Chem Phys. 2006 329 1-10. 

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