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Near-degenerate electronic structures remain a major challenge for conventional single-reference density functional theory (DFT). To address this problem, we propose time-dependent $\Delta$SCF (TD$\Delta$SCF), a novel linear-response scheme…

Chemical Physics · Physics 2026-05-12 Shuto Shibasaki , Fumiya Mohri , Takashi Tsuchimochi

We introduce diagrammatic technique for Hubbard nonequilibrium Green functions (NEGF). The formulation is an extension of equilibrium considerations for strongly correlated lattice models to description of current carrying molecular…

Mesoscale and Nanoscale Physics · Physics 2016-11-04 Feng Chen , Maicol A. Ochoa , Michael Galperin

We explore an autonomous system analysis of dark energy models with interactions between dark energy and cold dark matter in a general systematic approach to cosmological fluids. We investigate two types of models such as local and…

General Relativity and Quantum Cosmology · Physics 2024-03-14 Parth Shah , Gauranga C. Samanta , Kazuharu Bamba , R. Myrzakulov

We introduce a new paradigm for finite and infinite strict-one-dimensional uniform electron gases. In this model, $n$ electrons are confined to a ring and interact via a bare Coulomb operator. In the high-density limit (small-$r_s$, where…

Strongly Correlated Electrons · Physics 2012-08-15 Pierre-François Loos , Peter M. W. Gill

Over the years, several schemes have been proposed to describe multireference systems with Kohn-Sham Density Functional Theory. Problematic is the combination of two aspects: the Kohn-Sham reference wavefunction is usually taken to be a…

Strongly Correlated Electrons · Physics 2019-08-01 Pablo Ramos , Michele Pavanello

The unique property of Coulomb interaction in strict one-dimensional (1D) system is revealed that the Coulomb repulsion energy of paired electrons is divergent. As consequences, electrons in 1D system can not doubly occupy the same spatial…

Strongly Correlated Electrons · Physics 2011-08-23 Yongxi Zhou

Structural and thermodynamic properties of ionic fluids are related to those of a simpler ``mimic'' system with short ranged intermolecular interactions in a spatially varying effective field by use of Local Molecular Field (LMF) theory,…

Statistical Mechanics · Physics 2007-05-23 Yng-gwei Chen , Charanbir Kaur , John D. Weeks

In the context of electromagnetism and nonlinear optical interactions damping is generally introduced as a phenomenological, viscous term that dissipates energy, proportional to the temporal derivative of the polarization. Here, we follow…

In this paper we review various information-theoretic characterizations of the approach to equilibrium in biological systems. The replicator equation, evolutionary game theory, Markov processes and chemical reaction networks all describe…

Information Theory · Computer Science 2017-08-22 John C. Baez , Blake S. Pollard

Using Kubo's linear response theory, we derive expressions for the frequency-dependent electrical conductivity (Kubo-Greenwood formula), thermopower, and thermal conductivity in a strongly correlated electron system. These are evaluated…

Plasma Physics · Physics 2012-05-04 Bastian Holst , Martin French , Ronald Redmer

We use an adiabatic approximation in terms of instantaneous resonances to study the steady-state and time-dependent transport properties of interacting electrons in biased resonant tunneling heterostructures. This approach leads, in a…

Condensed Matter · Physics 2009-10-28 Carlo Presilla , Johannes Sjöstrand

The Feynman-Metropolis-Teller treatment of compressed atoms has been recently generalized to relativistic regimes and applied to the description of static and rotating white dwarfs in general relativity. We present here the extension of…

Solar and Stellar Astrophysics · Physics 2014-03-28 S. M. de Carvalho , M. Rotondo , Jorge A. Rueda , R. Ruffini

We have investigated electronic properties of the degenerate multi-orbital Hubbard model, in the limit of large spatial dimension. A new local model, including a doubly degenerate strongly correlated site has been introduced and solved in…

Strongly Correlated Electrons · Physics 2007-05-23 Pierre Lombardo , Gilbert Albinet

An approximate method based on adiabatic time dependent density functional theory (TDDFT) is presented, that allows for the description of the electron dynamics in nanoscale junctions under arbitrary time dependent external potentials. In…

Mesoscale and Nanoscale Physics · Physics 2015-05-27 Y. Wang , C. -Y. Yam , G. H. Chen , Th. Frauenheim , T. A. Niehaus

An adiabatic-connection fluctuation-dissipation theorem approach based on a range separation of electron-electron interactions is proposed. It involves a rigorous combination of short-range density functional and long-range random phase…

Materials Science · Physics 2009-03-03 Julien Toulouse , Iann C. Gerber , Georg Jansen , Andreas Savin , János G. Ángyán

The triplet contribution is computed to the 1 and 2 $^1S^\text{e}_0$ states of the He atom, to the $1\ ^1S^\text{e}_0$ state of the Li$^+$ and Be${^{2+}}$ ions, and to the $X\ ^1\Sigma_\text{g}^+$ ground state of the H$_2$ molecule by…

Atomic Physics · Physics 2023-01-25 Péter Jeszenszki , Edit Mátyus

We propose a model intended to qualitatively capture the electron-electron interaction physics of two-dimensional electron gases formed near transition-metal oxide heterojunctions containing $t_{2g}$ electrons with a density much smaller…

Strongly Correlated Electrons · Physics 2016-01-27 John R. Tolsma , Alessandro Principi , Reza Asgari , Marco Polini , Allan H. MacDonald

A coupled dark energy model is considered, in which dark energy is represented by a generalized three-form field and dark matter by dust. By assuming the functions $N$ and $I$ in the model's Lagrangian as two power-law functions of the…

Cosmology and Nongalactic Astrophysics · Physics 2022-06-13 Yan-Hong Yao , Xin-He Meng

An approach aimed to extend the applicability range of non-relativistic microscopic calculations of electronuclear response functions is reviewed. In the quasielastic peak region the calculations agree with experiment at momentum transfers…

Nuclear Theory · Physics 2015-06-23 V. D. Efros

The open-shell reference relativistic equation-of-motion coupled-cluster method within its four-component description is successfully implemented with the consideration of single- and double- excitation approximation. The one-body and…

Atomic Physics · Physics 2016-09-21 Himadri Pathak , Sudip Sasmal , Malaya K. Nayak , Nayana Vaval , Sourav Pal
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