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arXiv · 1311.4614

Thermal resonating Hartree-Bogoliubov theory based on the projection method

Seiya Nishiyama·Joao da Providencia·Hiromasa Ohnishi
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Abstract

We propose a rigorous thermal resonating mean-field theory (Res-MFT). A state is approximated by superposition of multiple MF wavefunctions (WFs) composed of non-orthogonal Hartree-Bogoliubov (HB) WFs. We adopt a Res-HB subspace spanned by Res-HB ground and excited states. A partition function (PF) in a SO(2N) coherent state representation |g> (N:Number of single-particle states) is expressed as Tr(e^{-βH})=2^{N-1} \int dg (β=1/k_BT). Introducing a projection operator P to the Res-HB subspace, the PF in the Res-HB subspace is given as Tr(Pe^{-βH}), which is calculated within the Res-HB subspace by using the Laplace transform of e^{-βH} and the projection method. The variation of the Res-HB free energy is made, which leads to a thermal HB density matrix W_{Res}^{thermal} expressed in terms of a thermal Res-FB operator F_{Res}^{thermal} as W_{Res}^{thermal}={1_{2N}+exp(βF_{Res}^{thermal})}^{-1}. A calculation of the PF by an infinite matrix continued fraction is cumbersome and a procedure of tractable optimization is too complicated. Instead, we seek for another possible and more practical way of computing the PF and the Res-HB free energy within the Res-MFT.

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Seiya Nishiyama, Joao da Providencia, Hiromasa Ohnishi. 2014-07-02. Thermal resonating Hartree-Bogoliubov theory based on the projection method. https://doi.org/10.1142/s0217979214501318

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