Related papers: Charge-transfer from Regularized Symmetry-Adapted …
Charge transfer plays a crucial role in many processes of interest in physics, chemistry, and bio-chemistry. In many applications the size of the systems involved calls for time-dependent density functional theory (TDDFT) to be used in…
Molecular conduction operating in dielectric solvent environments are often described using kinetic rates based on Marcus theory of electron transfer at a molecule-metal electrode interface. However, the successive nature of charge transfer…
Spin transfer torques (STT) occur when electric currents travel through inhomogeneously magnetized systems and are important for the motion of magnetic textures such as domain walls. Since superconductors are easy-plane ferromagnets in…
Symmetry restoration in a theory of a self-interacting charged scalar field at finite temperature and in the presence of an external magnetic field is examined. The effective potential is evaluated nonperturbatively in the context of the…
Energy transport can reveal information about interacting many-body systems beyond other transport probes. In particular, in one dimension it has been shown that the energy current is directly proportional to the central charge, thus…
We show that as an electron transfers between closed-shell molecular fragments at large separation, the exact correlation potential of time-dependent density functional theory gradually develops a step and peak structure in the bonding…
The connections between the Random Phase Approximation (RPA) and Many-Body Perturbation Theory (MBPT) and its all order generalisation, the Coupled- Cluster Theory (CCT) have been explored. Explicit expressions have been derived for the…
The organic conductor $\alpha$-(BEDT-TTF)$_2$I$_3$ provides the prime example of a charge-order-driven metal-insulator transition. Restricted chemical substitution of S atoms by Se in the constituent molecules allows us to modify the…
A theory is developed to describe the coupled transport of energy and charge in networks of electron donor-acceptor sites which are seated in a thermally heterogeneous environment, where the transfer kinetics are dominated by Marcus-type…
We discuss fluctuations near the second order phase transition where the free energy has an additional non-Hermitian term. The spectrum of the fluctuations changes when the odd-parity potential amplitude exceeds the critical value…
Although Marcus theory is widely used to describe charge transfer in molecular systems, in its usual form it is restricted to transfer from one molecule to another. If a charge is delocalised across multiple donor molecules, this approach…
$\alpha$-(BEDT-TTF)$_2$I$_3$ is a prominent example of charge ordering among organic conductors. In this work we explore the details of transport within the charge-ordered as well as semimetallic phase at ambient pressure. In the…
A theoretical model of c-axis transport properties in cuprates is proposed. Inter-plane and in-plane charge fluctuations make hopping between planes incoherent and diffusive (the in-plane momentum is not conserved after tunneling). The…
We explore the relationship between the nonlinear matter power spectrum and the various Lagrangian and Standard Perturbation Theories (LPT and SPT). We first look at it in the context of one dimensional (1-d) dynamics, where 1LPT is exact…
We study the symmetry breaking and restoration behavior of a self-interacting charged scalar field theory under the influence of a constant electric field and finite temperature. Our study is performed in the context of the optimized…
An important physical process unique to neutral-ion systems is the charge-transfer (CT) reaction. Here, we present measurements of and models for CT processes between co-trapped ultracold Ca atoms and Yb ions under well-controlled…
We present an analytical description of the Alchemical Transfer Method (ATM) for molecular binding using the Potential Distribution Theory (PDT) formalism. ATM models the binding free energy by mapping the bound and unbound states of the…
The conception of the conformal phase transiton (CPT), which is relevant for the description of non-perturbative dynamics in gauge theories, is introduced and elaborated. The main features of such a phase transition are established. In…
Interplay between the Mott transition and the multicritical phenomenon of d-wave superconductivity (SC) and antiferromagnetism (AF) is studied theoretically. We describe the Mott transition, which is analogous to a liquid-gas phase…
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…