Related papers: Finite-Temperature Many-Body Perturbation Theory i…
A finite-temperature many-body perturbation theory is presented that expands in power series the electronic grand potential, chemical potential, internal energy, and entropy on an equal footing. Sum-over-states and sum-over-orbitals…
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…
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…
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…
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…
A great many observables seen in intermediate energy heavy ion collisions can be explained on the basis of statistical equilibrium. Calculations based on statistical equilibrium can be implemented in microcanonical ensemble (energy and…
It has been proved for a class of mean-field and long-range systems that the concavity of the thermodynamic entropy determines whether the microcanonical and canonical ensembles are equivalent at the level of their equilibrium states, i.e.,…
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…
For classical discrete systems under constant composition, it has been considered that genuine thermodynamic variables such as free energy cannot be generally determined from information about a single or a few selected microscopic states.…
A quantum statistical model of nuclear multifragmentation is proposed. The recurrence equation method used within the canonical ensemble makes the model solvable and transparent to physical assumptions and allows to get results without…
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…
We study measures of decoherence and thermalization of a quantum system $S$ in the presence of a quantum environment (bath) $E$. The entirety $S$$+$$E$ is prepared in a canonical thermal state at a finite temperature, that is the entirety…
We study the thermalization of an ensemble of $N$ elementary, arbitrarily-complex, quantum systems, mutually noninteracting but coupled as electric or magnetic dipoles to a blackbody radiation. The elementary systems can be all the same or…
Different formulas relying measurable fragment isotopic observables to the symmetry energy of excited nuclei have been proposed and applied to the analysis of heavy ion collision data in the recent literature. In this paper we examine the…
Finite temperature auxiliary field-based Quantum Monte Carlo methods, including Determinant Quantum Monte Carlo (DQMC) and Auxiliary Field Quantum Monte Carlo (AFQMC), have historically assumed pivotal roles in the investigation of the…
The thermal or equilibrium ensemble is one of the most ubiquitous states of matter. For models comprised of many locally interacting quantum particles, it describes a wide range of physical situations, relevant to condensed matter physics,…
We consider the thermodynamics of a black hole coupled to thermal radiation in a spatially finite (spherical) region. Thermodynamic state functions are derived in the canonical ensemble, defined by elements of radius $r_o$ and boundary…
We explore the conditions under which the particle number conservation constraint deforms the predictions of fragmentation observables as calculated in the grand canonical ensemble. We derive an analytical formula allowing to extract…
Density matrix perturbation theory [Niklasson and Challacombe, Phys. Rev. Lett. 92, 193001 (2004)] is generalized to canonical (NVT) free energy ensembles in tight-binding, Hartree-Fock or Kohn-Sham density functional theory. The canonical…
Depending on the exact experimental conditions, the thermodynamic properties of physical systems can be related to one or more thermostatistical ensembles. Here, we survey the notion of thermodynamic temperature in different statistical…