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We present a generalized extension of the recently developed electron/hole-transfer Dynamically-weighted State-Averaged Constrained CASSCF (eDSC/hDSC) method to model charge transfer in the presence of spin-orbit coupling (SOC) for systems…

Chemical Physics · Physics 2026-02-13 Alok Kumar , Zhen Tao , Joseph E. Subotnik , Tian Qiu

This work investigates one- and two-neutron transfer in the $^{96}\text{Zr} + {}^{40}\text{Ca}$ reaction at sub-barrier energies using a microscopic framework based on time-dependent covariant density functional theory (TD-CDFT). Pairing…

Nuclear Theory · Physics 2026-01-21 Dandan Zhang , Bo Li , Dario Vretenar , Tamara Nikšić , Pengwei Zhao , Jie Meng

Magnetic recording using circularly polarized femto-second laser pulses is an emerging technology that would allow write speeds much faster than existing field driven methods. However, the mechanism that drives the magnetization switching…

Mesoscale and Nanoscale Physics · Physics 2017-06-19 Matthew O. A. Ellis , Eric E. Fullerton , Roy W. Chantrell

We investigate the Mott transition using a cluster extension of dynamical mean field theory (DMFT). In the absence of frustration we find no evidence for a finite temperature Mott transition. Instead, in a frustrated model, we observe…

Strongly Correlated Electrons · Physics 2009-11-10 O. Parcollet , G. Biroli , G. Kotliar

In this letter we explore how the microscopic dynamics of charge transfer (CT) excitons are influenced by the presence of an external magnetic field in disordered molecular semiconductors. This influence is driven by the dynamic interplay…

Chemical Physics · Physics 2016-06-03 Chee Kong Lee , Liang Shi , Adam P. Willard

Quantum critical (QC) phenomena can be accessed by studying quantum magnets under an applied magnetic field ($B$). The QC points are located at the endpoints of magnetization plateaus and separate gapped and gapless phases. In one…

Strongly Correlated Electrons · Physics 2018-08-29 W. M. da Silva , R. R. Montenegro-Filho

We derive a unified theory of spin and charge degrees of freedom in a ferromagnet. The spin-transfer torque and spin electromotive force are examined from the coarse-grained perspective of collective coordinates. The resulting equations of…

Mesoscale and Nanoscale Physics · Physics 2022-11-08 Oleg Tchernyshyov

We propose a kinetic theory of transport in metals embedded with ferromagnetic nanoclusters, describing the dependence of the form of magnetoresistance on anisotropy characteristics of the ensemble of clusters and the influence of the…

Materials Science · Physics 2010-08-12 O. Tsyplyatyev , Vladimir I. Fal'ko

Faster magnetic recording technology is indispensable to massive data storage and big data sciences. {All-optical spin switching offers a possible solution}, but at present it is limited to a handful of expensive and complex rare-earth…

Materials Science · Physics 2016-11-03 G. P. Zhang , Y. H. Bai , T. F. George

A microscopic theory of Cooper-pair fluctuations (CPFs) in a disordered 2D electron system with spin-orbit scatterings under parallel magnetic field is presented in light of the observation, at low temperatures, of large magnetoresistance…

Superconductivity · Physics 2025-09-17 Tsofar Maniv , Vladimir Zhuravlev

Starting from the assumption that ferromagnetically correlated regions exist in manganites even in the absence of long-range magnetic order, we construct a model of charge transfer due to the spin-dependent tunnelling of charge carriers…

Strongly Correlated Electrons · Physics 2007-05-23 K. I. Kugel , A. L. Rakhmanov , A. O. Sboychakov , M. Yu. Kagan , I. V. Brodsky , A. V. Klaptsov

The formation of bound electron-hole pairs, also called charge-transfer (CT) states, in organic-based photovoltaic devices is one of the dominant loss mechanisms hindering performance. While CT state dynamics following electron transfer…

An approach is proposed for evaluating dipolar and multipolar inter-site interactions in strongly correlated materials. This approach is based on the single-site dynamical mean-field theory (DMFT) in conjunction with the atomic…

Strongly Correlated Electrons · Physics 2016-09-13 L. V. Pourovskii

Light-matter interaction allows to achieve non-equilibrium states that are otherwise inaccessible. Motivated by recent experiments that report ferroelectricity -- and even multiferroicity -- in the prototypical diamagnetic band insulator…

Materials Science · Physics 2026-02-25 Andri Darmawan , Markus E. Gruner , Rossitza Pentcheva

This thesis investigates the magnetic, spectral, and transport properties of strongly correlated electronic systems, with a primary focus on the Hubbard model and its extensions relevant for real materials. Within the dynamical mean-field…

Strongly Correlated Electrons · Physics 2026-03-19 Joel Bobadilla

Bipartite field theories (BFTs) are a new class of 4d N=1 quantum field theories defined by bipartite graphs on bordered Riemann surfaces. In this paper we derive, purely in terms of the gauge theory, the cluster transformations of face…

High Energy Physics - Theory · Physics 2015-06-12 Sebastian Franco

The recently proposed center-focused post-processing procedure [Phys. Rev. Research 2, 033476 (2020)] of cellular dynamical mean-field theory suggests that central sites of large impurity clusters are closer to the exact solution of the…

Strongly Correlated Electrons · Physics 2024-02-28 Michael Meixner , Henri Menke , Marcel Klett , Sarah Heinzelmann , Sabine Andergassen , Philipp Hansmann , Thomas Schäfer

Single-layer transition-metal dichalcogenides provide an unique intrinsic entanglement between the spin/valley/orbital degrees of freedom and the polarization of scattered photons. This scenario gives rise to the well-assessed optical…

Materials Science · Physics 2025-01-13 Habib Rostami , Federico Cilento , Emmanuele Cappelluti

Photoinduced phase transitions and charge dynamics in the interacting Dirac-electron system with a charge-ordered ground state are theoretically studied by taking an organic salt $\alpha$-(BEDT-TTF)$_2$I$_3$. By analysing the extended…

Strongly Correlated Electrons · Physics 2022-07-21 Yasuhiro Tanaka , Masahito Mochizuki

A plethora of correlated and exotic metallic states have been identified on the border of itinerant magnetism, where the long-range spin texture is melted by tuning the magnetic transition temperature (T$_C$) towards zero, referred to as…