Siegbahn method

Ross B O and Siegbahn P E M 1977 The direet eonfiguration interaetion method from moleeular integrals Modern Theoretical Chemistry vo 3, ed H F III Sehaefer (New York Plenum) pp 277-318 give exeellent overviews of the Cl method For a niee overview of reeent work, see ... 

Roos B O, Taylor P R and Siegbahn P E M 1980 A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approach Chem. Phys. 48 157-73... 

A more detailed perturbation theory analysis leads to an improved correction formula. This method, known as the Davidson and Silver or Siegbahn correction, is... 

Moseley found that each K spectrum of Barkla contains two lines, Ka and K(3, and that the L spectra are more complex. Later important work, especially by Siegbahn,38 has shown that M, N, and O spectra exist and are more complex in their turn. Relatively numerous low-intensity lines are now known to exist in all series. Fortunately, the analytical chemist can afford to ignore most of these low-intensity lines in his practical applications of x-ray methods at present. It generally suffices for him to know that x-ray spectra at their most complex are enormously simpler than emission spectra involving valence electrons, and that most x-ratr lines are satisfactorily accounted for on the basis of the simple selection rules that govern electron transitions between energy states. 

P.E.M.Siegbahn, "The externally contracted Cl method", pp. 65-79 in R.Carbo (Editor), Current Aspects of Oiaantum Chemistry 1981. Elsevier, Amsterdam, 1982. 

Figure 1 shows three configurations for colliding-beam experiments that have been used for studies of dissociative recombination. These are the inclined-beam apparatus at the University of Newcastle-upon-Tyne,30 the merged-electron—ion-beam experiment (MEIBE) at the University of Western Ontario,31 and an electron-cooler apparatus at the Manne Siegbahn laboratory in Stockholm.32 In the inclined-beam method (Figure la), the ion beam is accelerated to an energy of 30... 

An alternative approach to the calculation of accurate thermochemical data is to scale the computed correlation energy with multiplicative parameters determined by fitting to the experimental data. Pioneering methods using such an approach include the scaling all correlation (SAC) method of Gordon and Truhlar [32], the parameterized correlation (PCI-X) method of Siegbahn et al. [33], and the multi-coefficient correlation methods (MCCM) of Truhlar et al. [34-36]. Such methods can be used... 

P.E.M. Siegbahn The Direct-CI Method., in G.H.F. Diercksen and S. Wilson (ed.) Methods in Computational Molecular Physics., D. Reidel Publising Company, Dordrecht, p. 189 (1983). 

B. O. Roos and P.E.M. Siegbahn The Direct Configuration Interaction Method from Molecular Integrals.,... 

B. O. Roos and P.E.M. Siegbahn The Direct Configuration Interaction Method from Molecular Integrals., inH. F. S. III(ed.) Methods of Electronic Stmcture Theory., Plenum, New York, p. 277 (1977). 

P.E.M. Siegbahn, The Direct Configuration Interaction Method with a Contracted Configuration Expansion, Chem. Phys. 25, 197 (1977). 

P.E.M. Siegbahn, A New Direct Cl Method for Large Cl Expansions in a Small Orbital Space, Chem. Phys. Letters 109, 417 (1984). 

P.E.M. Siegbahn, Current Status of the Multiconfiguration-Configuration Interaction (MC-CI) Method as Applied to Molecules Containing Transition-metal Atoms, Faraday Symp. Chem. Soc. 19, 97 (1984). 

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