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A finite-temperature perturbation theory for the grand canonical ensemble is introduced that expands chemical potential in a perturbation series and conserves the average number of electrons, ensuring charge neutrality of the system at each…

化学物理 · 物理学 2019-10-21 So Hirata , Punit K. Jha

A comprehensive and detailed account is presented for the finite-temperature many-body perturbation theory for electrons that expands in power series all thermodynamic functions on an equal footing. Algebraic recursions in the style of the…

统计力学 · 物理学 2021-09-21 So Hirata

Benchmark data are presented for the zeroth- through third-order many-body perturbation corrections to the electronic Helmholtz energy, internal energy, and entropy in the canonical ensemble in a wide range of temperature. They are…

化学物理 · 物理学 2020-02-12 Punit K. Jha , So Hirata

Low-order perturbation corrections to the electronic grand potential, internal energy, chemical potential, and entropy of a gas of noninteracting, identical molecules at a nonzero temperature are determined numerically as the…

化学物理 · 物理学 2019-10-21 Punit K. Jha , So Hirata

We present an algebraic, nondiagrammatic derivation of finite-temperature second-order many-body perturbation theory [FT-MBPT(2)], using techniques and concepts accessible to theoretical chemical physicists. We give explicit expressions not…

化学物理 · 物理学 2016-09-05 Robin Santra , Jochen Schirmer

A unified theory is presented for finite-temperature many-body perturbation expansions of the anharmonic vibrational contributions to thermodynamic functions: the free energy, internal energy, and entropy. The theory is diagrammatically…

统计力学 · 物理学 2023-08-29 Xiuyi Qin , So Hirata

It is shown analytically and numerically that the finite-temperature many-body perturbation theory in the grand canonical ensemble has zero radius of convergence at zero temperature when the energy ordering or degree of degeneracy for the…

化学物理 · 物理学 2021-02-03 So Hirata

We present a new algorithm to evaluate the grand potential at finite and high-temperature series expansion via many-body perturbation theory. This algorithm allows us to formulate each order as a divided difference. Further, we apply this…

We examine finite temperature perturbation theory for Chern-Simons theories, in the context of an analogue 0+1-dimensional model. In particular, we show how nonextensive terms arise in the perturbative finite temperature effective action,…

高能物理 - 理论 · 物理学 2009-10-30 Ashok Das , Gerald Dunne

Understanding the thermodynamic properties of many-body quantum systems and their emergence from microscopic laws is a topic of great significance due to its profound fundamental implications and extensive practical applications. Recent…

量子物理 · 物理学 2024-09-05 Antonio Palamara , Francesco Plastina , Antonello Sindona , Irene D'Amico

We investigate the convergence properties of finite-temperature perturbation theory by considering the mathematical structure of thermodynamic potentials using complex analysis. We discover that zeros of the partition function lead to poles…

化学物理 · 物理学 2022-05-18 Yi Sun , Hugh G. A. Burton

The order-by-order renormalization of the self-consistent mean-field potential in many-body perturbation theory for normal Fermi systems is investigated in detail. Building on previous work mainly by Balian and de Dominicis, as a key result…

核理论 · 物理学 2019-08-01 Corbinian Wellenhofer

The widely used thermal Hartree-Fock (HF) theory is generalized to include the effect of electron correlation while maintaining its quasi-independent-particle framework. An electron-correlated internal energy (or grand potential) is…

统计力学 · 物理学 2024-08-22 So Hirata

Many methods for computing electronic correlation effects at finite temperature are related to many-body perturbation theory in the grand-canonical ensemble. In most applications, however, the average number of electrons is known rather…

材料科学 · 物理学 2022-10-21 Felix Hummel

Based on the special properties of Liouville eigenoperators a perturbation theory for the partition sum is given. It is applicable for any temperature and includes the case of degenerate Hamiltonians. To demonstrate the reliability of the…

强关联电子 · 物理学 2007-05-23 R. Schumann

We develop a variational approach at finite temperature that incorporates many-body correlation self-consistently. The grand potential is constructed in terms of Green's function expressed by the variational parameters. We apply this…

量子气体 · 物理学 2019-05-30 Akimitsu Kirikoshi , Wataru Kohno , Takafumi Kita

We consider the many-body quantum Gibbs state for the Bose-Hubbard model on a finite graph at positive temperature. We scale the interaction with the inverse temperature, corresponding to a mean-field limit where the temperature is of the…

数学物理 · 物理学 2024-05-08 Zied Ammari , Shahnaz Farhat , Sören Petrat

A finite temperature many-particle theory of condensed matter systems is formulated using the functional Schroedinger picture. Using the interacting electron gas as a model system, we solve the equation of motion for the density matrix…

强关联电子 · 物理学 2008-02-03 Hyun Sik Noh , Sang Koo You , Chul Koo Kim

Quantum systems of indistinguishable particles are commonly described using the formalism of second quantisation, which relies on the assumption that any admissible quantum state must be either symmetric or anti-symmetric under particle…

量子物理 · 物理学 2023-07-13 Benjamin Yadin , Benjamin Morris , Kay Brandner

A recent description of an exact map for the equilibrium structure and thermodynamics of a quantum system onto a corresponding classical system is summarized. Approximate implementations are constructed by pinning exact limits (ideal gas,…

统计力学 · 物理学 2015-04-14 Jeffrey Wrighton , James Dufty , Sandipan Dutta
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