Related papers: Electronic entropy in Green's-function calculation…
Digital computers implement computations using circuits, as do many naturally occurring systems (e.g., gene regulatory networks). The topology of any such circuit restricts which variables may be physically coupled during the operation of a…
We propose an operational definition of the entropy of cosmological perturbations based on a truncation of the hierarchy of Green functions. The value of the entropy is unambiguous despite gauge invariance and the renormalization procedure.…
From a new rigorous formulation of the general axiomatic foundations of thermodynamics we derive an operational definition of entropy that responds to the emergent need in many technological frameworks to understand and deploy thermodynamic…
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…
To make clear several issues relating with the thermodynamics of computations, we perform a simulation of a binary device using a Langevin equation. Based on our numerical results, we consider how to estimate thermodynamic entropy of…
We prove that the electron density function of a real physical system can be uniquely determined by its values on any finite subsystem. This establishes the existence of a rigorous density-functional theory for any open electronic system.…
The method of many body Green's functions is used to derive algebraic expressions for the different elastic and thermodynamical quantities such as the free energy, internal energy, entropy, heat capacity, elastic constants (adiabatic and…
This paper analyses the GW method for finite electronic systems. In a first step, we provide a mathematical framework for the usual one-body operators that appear naturally in many-body perturbation theory. We then discuss the GW equations…
We derive the expressions of photon energy and particle currents inside an open nanosystem interacting with light using non-equilibrium Green's functions. The model allows different temperatures for the electron reservoirs, which basically…
We examine theoretically and experimentally the localized %and extended electrical modes existing in a bi-inductive electrical lattice containing a bulk or a surface capacitive impurity. By means of the formalism of lattice Green's…
We extend classical coarse-grained entropy, commonly used in many branches of physics, to the quantum realm. We find two coarse-grainings, one using measurements of local particle numbers and then total energy, and the second using local…
There is extensive current interest about electronic topology in correlated settings. In strongly correlated systems, contours of Green's function zeros may develop in frequency-momentum space, and their role in correlated topology has…
Within the framework of many-particle perturbation theory, we develop an analytical approach that allows us to determine the small distance behavior of Green's functions and related quantities in electronic structure theory. As a case…
From a new rigorous formulation of the general axiomatic foundations of thermodynamics we derive an operational definition of entropy that responds to the emergent need in many technological frameworks to understand and deploy thermodynamic…
We present an implementation in a linear-scaling density-functional theory code of an electronic enthalpy method, which has been found to be natural and efficient for the ab initio calculation of finite systems under hydrostatic pressure.…
The physical mechanism for metal ablation induced by femtosecond laser irradiation was investigated. Results of calculations based on finite-temperature density functional theory (FTDFT) indicate that condensed copper becomes unstable at…
We review thermodynamic limits and scaling limits of electronic structure models for condensed matter. We discuss several mathematical ways to implement these limits in three models of increasing chemical complexity and mathematical…
We extend a recently proposed non-local and non-covariant version of the Thirring model to the finite-temperature case. We obtain a completely bosonized expression for the partition function, describing the thermodynamics of the collective…
We demonstrate that the melting points and other thermodynamic quantities of the alkali metals can be calculated based on static crystalline properties. To do this we derive analytic interatomic potentials for the alkali metals fitted…
We consider thermal $n$-point Green functions in the framework of quantum field theory at finite temperature. We show how analytic continuations from imaginary to real energies relate these functions originally defined in the imaginary-time…