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Cin the framework of a dynamic local-field correction

Physical Review B, ISSN: 0163-1829, Vol: 48, Issue: 4, Page: 2037-2045
1993
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The quantum-mechanical version of the Singwi-Tosi-Land-Sjölander (STLS) approximation is applied to finite temperatures. This approximation has two main advantages. First, it includes a dynamic local-field correction and second, it gives positive values for the pair-distribution function in the short-range region at zero temperature. This is even valid for rather low densities. After a description of the numerical difficulties arising with the use of a dynamic approximation, the results for the static-structure factor and the pair-distribution function are discussed thoroughly. Detailed work is performed on the static part of the local-field correction, with special emphasis put on the investigation of its structure. A peak is found at a wave vector q2.8 (in units of the Fermi wave vector) for small temperatures, which tends towards higher values of q with increasing temperature. This peak causes an attractive particle-hole interaction in a certain q region and thus gives rise to the appearance of a charge-density wave. A parametric description is given for the static local-field correction in order to simplify further applications. Furthermore, the exchange-and-correlation free energy is considered. The results are compared with the STLS results and with the modified convolution approach. © 1993 The American Physical Society.

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