Electron propagator method

Applications of electron propagator methods with a single-determinant reference state seldom have been attempted for biradicals such as ozone, for operator space partitionings and perturbative corrections therein assume the dominance of a lone configuration in the reference state. Assignments of the three lowest cationic states were inferred from asymmetry parameters measured with Ne I, He I and He II radiation sources [43]. 

Efficient and Accurate Electron Propagator Methods and Algorithms... 

Comparison of this conclusion with the ordering given in the introduction indicates that there are now many more options for the calculation of EADEs with quasiparticle electron propagator methods. Furthermore, the accuracy gap between EP2 and P3 or OVGF methods has been filled and better compromises for accuracy and computer resources are available for large molecules. In particular, the QVOS... 

This book encompasses 23 contributions on different aspects of CC applied to a large arena of research field. The first contribution by Flores-Moreno and Ortiz deals with the theoretical formulation of electron propagator methods developed to compute accurate ionization potentials and electron affinity of system of different sizes. This review describes recent implementations that can be used for more challenging system without compromising the accuracy of the results. In the next... 

This artide is dedicated to Yngve Ohm for his contribution to electron propagator methods and their implementation for quantum chemical calculations. 

For such nonequilibrium processes, the direct mapping of the electron propagator methods to calculations of electric current becomes inapplicable because of the time-dependent nature of electric current in both phenomena. A time-dependent problem requires the further development of the theory of Green s functions to electron dynamics in which e-e correlation effects are taken into account. Such methodology already exists in physics in which many-body ideas have been developed for time-dependent problems. This theory is based on nonequilibrium Green s or Keldysh functions [2,5, 6, 40-46]. 

The applications of nonequilibrium Green s functions to the calculations of different molecular devices show the importance of electron correlation effects. The electron propagator method is able to explain experimental data and predict new electronic devices. 

Characterization of Shape and Auger Resonances using The Dilated One Electron Propagator Method. 

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