Related papers: Self-consistent approach for thermodynamics of a s…
The second-order Matsubara Green's function method (GF2) is a robust temperature dependent quantum chemistry approach, extending beyond the random-phase approximation. However, till now the scope of GF2 applications was quite limited as…
Accurate prediction of electron temperature ($T_{\rm e}$) in non-equilibrium {plasma} flows is critical, yet hampered by inadequate models for electron heating from vibrationally excited states. Prior models often relied on ad-hoc scaling…
The Self-Consistent Harmonic Approximation (SCHA) has been utilized to investigate quantum and thermal phase transitions within magnetic models and, more recently, in spintronic applications. The SCHA methodology involves utilizing simple…
We calculate the electron-ion temperature equilibration rate in a fully ionized, weakly to moderately coupled plasma, using an exact treatment of the Fermi-Dirac electrons. The temperature is sufficiently high so that the quantum-mechanical…
We investigate the emergence of stable subspaces in the low-temperature quantum thermal dynamics of finite spin chains. Our analysis reveals the existence of effective decoherence-free qudit subspaces, persisting for timescales exponential…
The Lipkin-Meshkov-Glick model is used to examine the validity of some approximate methods in a many-body theory at finite temperatures. Namely, the thermal random phase approximation (TRPA) and the thermal renormalized random phase…
We consider the thermal softening of crystals due to anharmonicity. Self-consistent methods find a maximum temperature for a stable crystal, which gives an upper bound to the melting temperature. Previous workers have shown that the…
With the aim of identifying universal trends, we compare fully self-consistent electronic spectra and total energies obtained from the GW approximation with those from an extended GWGamma scheme that includes a nontrivial vertex function…
We introduce a theory for the absorption of electromagnetic radiation by small metal particles, which generalises the random phase approximation by incorporating both electric and magnetic dipole absorption within a unified self-consistent…
The convergence property of a stochastic algorithm for the self-consistent field (SCF) calculations of electron structures is studied. The algorithm is formulated by rewriting the electron charges as a trace/diagonal of a matrix function,…
We develop a numerical model that reproduces the thermal equilibrium and the spin transfer mechanisms in magnetic nanomaterials. We analyze the coherent two-particle spin exchange interaction and the electron-electron collisions. Our study…
We numerically study thermodynamic and structural properties of the one-component Gaussian core model (GCM) at very high densities. The solid-fluid phase boundary is carefully determined. We find that the density dependence of both the…
In a previous work it was shown that the inclusion of exact exchange is essential for a first principles description of both the electronic- and the vibrational properties of TiSe$_2$, M. Hellgren et al. [Phys. Rev. Lett. 119, 176401…
We report an exhaustive study of the performance of different variants of Green function methods for the spherium model in which two electrons are confined to the surface of a sphere and interact via a genuine long-range Coulomb operator.…
We derive rates of convergence for limit theorems that reveal the intricate structure of the phase transitions in a mean-field version of the Blume-Emery-Griffith model. The theorems consist of scaling limits for the total spin. The model…
We report the successful adaptation of the quasi-boson approximation, a technique traditionally employed in nuclear physics, to the analysis of the two-dimensional electron gas. We show that the correlation energy estimated from this…
Including finite-temperature effects from the electronic degrees of freedom in electronic structure calculations of semiconductors and metals is desired; however, in practice it remains exceedingly difficult when using zero-temperature…
We derive a self-consistent time-dependent harmonic approximation for the quantum sine-Gordon model out of equilibrium and apply the method to the dynamics of tunnel-coupled one-dimensional Bose gases. We determine the time evolution of…
We present the nonequilibrium implementation of the two-particle self-consistent (TPSC) approach, which has been shown to provide a reliable equilibrium description of interacting lattice systems in the weak- and intermediate-correlation…
A method is developed for generating pseudopotentials for use in correlated-electron calculations. The paradigms of shape and energy consistency are combined and defined in terms of correlated-electron wave-functions. The resulting energy…