Related papers: Thermodynamic Limits of Electronic Systems
Finite temperature properties of a non-Fermi liquid system is one of the most challenging probelms in current understanding of strongly correlated electron systems. The paradigmatic arena for studying non-Fermi liquids is in one dimension,…
Self-consistency based Kohn-Sham density functional theory (KS-DFT) electronic structure calculations with Gaussian basis sets are reported for a set of 17 protein-like molecules with geometries obtained from the protein data bank. It is…
It has been theoretically shown that in large-density semiconductor plasma there exist an energy level of a bound electron-hole pair (a composite boson) at the band gap. Filling this level up occurs through the condensation of electron-hole…
We investigate the impact of two-level systems (TLSs) on superconductivity, treating them as soft modes localised in real space. We show that these defects can either enhance or suppress the superconducting critical temperature, depending…
This thesis describes the development of the density matrix embedding theory (DMET) and its applications to lattice strongly correlated electron problems, including a review of DMET theory and algorithms (Ch 2), investigation of finite size…
The formalism of Kohn and Sham uses a specific (model) hamiltonian which highly simplifies the many-electron problem to that of noninteracting fermions. The theorem of Hohenberg and Kohn tells us that, for a given ground state density, this…
In this paper, we describe a mathematical model and a numerical simulation method for the condenser component of a novel two-phase thermosyphon cooling system for power electronics applications. The condenser consists of a set of…
We examine the thermodynamic limit of fluids of hard core particles that are polydisperse in size and shape. In addition, particles may interact magnetically. Free energy of such systems is a random variable because it depends on the choice…
One-hundred-nm-scale electronic structure calculations were carried out on the K supercomputer by our original simulation code ELSES (http://www.elses.jp/) The present paper reports preliminary results of transport calculations for…
The reduced density matrices (RDMs) are calculated in the thermodynamic limit for the Chern-Simons non-relativistic particle system and Maxwell-Boltzmann (MB) statistics. It is established that they are zero outside of a diagonal and…
We predict the emergence of novel collective electronic excitations in warm dense matter with an inhomogeneous electronic structure based on first-principles calculations. The emerging modes are controlled by the imposed perturbation…
As modern electronic devices are increasingly miniaturized and integrated, their performance relies more heavily on effective thermal management. Two-phase cooling methods enhanced by porous surfaces, which capitalize on thin-film…
Many objects of nanoscopic dimensions involve fluid-tethered chain interfaces. These systems are of interest for basic science and for several applications, in particular for design of nanodevices for specific purposes. We review recent…
Kohn-Sham spin-density functional theory provides an efficient and accurate model to study electron-electron interaction effects in quantum dots, but its application to large systems is a challenge. An efficient algorithm for the…
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…
Kohn-Sham (KS) formalism of Density Functional Theory is modified to include the systems with strong non-dynamic electron correlation. Unlike in extended KS and broken symmetry unrestricted KS formalisms, cases of both singlet-triplet and…
The ``extended Overhauser model'' [Overhauser, Can. J. Phys. 1995, 73, 683] for the calculation of the spherically and system-averaged pair density (APD) has been recently combined with the Kohn-Sham equations to yield realistic APD and…
We introduce a new model for quasi one-dimensional materials, motivated by intriguing but not yet well-understood experiments that have shown two-dimensional polymer films to be promising materials for thermoelectric devices. We consider a…
We determine the critical temperature of a 3-d homogeneous system of hard-sphere Bosons by path-integral Monte Carlo simulations and finite-size scaling. At low densities, we find that the critical temperature is increased by the repulsive…
The low temperature dependence of the spin and charge susceptibilities of an anisotropic electron system in two dimensions is analyzed. It is shown that the presence of inflection points at the Fermi surface leads, generically, to a $ T…