Abstract
The method of correlated basis functions is applied to the electron system in a metal. To overcome the twofold difficulty of large particle number and long-range Coulomb interaction in metals, a new optimal cluster decomposition for arbitrary correlated wave functions is derived. With this method, not only ground-state properties, but also thermal averages and response functions can be calculated from a given set of correlated basis functions. The appropriate synthesis of correlated wave functions including physically expected properties of subsystems as for instance partially filled inner shells in transition metals is discussed in detail.
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Kögel, G. Correlated basis functions for the many-electron problem. Z Physik B 23, 27–36 (1976). https://doi.org/10.1007/BF01322257
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DOI: https://doi.org/10.1007/BF01322257