arXiv subjects

Evgeny A. Stepanov

Publications and source records attributed to Evgeny A. Stepanov.

27 records · Page 2Linked to original sources

arXiv2022

Fluctuating local field approach to free energy of 1D molecules with strong collective electronic correlations

The impact of leading collective electronic fluctuations on a free energy of a prototype 1D model for molecular systems is considered within the recently developed Fluctuating Local Field (FLF) approach. The FLF method is a non-perturbative extension of a mean-field theory, where a self-consistent effective constant field is replaced by a fluctuating one. Integrating the fluctuating field out numerically exactly allows to account for collective electronic fluctuations mediated by this field without any assumptions on their magnitude, degree of nonlinearity, etc. Using a half-filled Hubbard ring as a benchmark system, we find that the FLF method noticeably improves a mean-field estimation for the free energy, in particular below the mean-field Neél temperature. We further demonstrate that the mean-field result can be even more improved introducing a multi-mode FLF scheme that additionally takes into account sub-leading fluctuations. Possible applications for the thermodynamics of real molecules are also discussed.

cond-mat.str-el↗

arXiv2021

Orbital isotropy of magnetic fluctuations in correlated electron materials induced by Hund's exchange coupling

Characterizing non-local magnetic fluctuations in materials with strong electronic Coulomb interactions remains one of the major outstanding challenges of modern condensed matter theory. In this work we address the spatial symmetry and orbital structure of magnetic fluctuations in perovskite materials. To this aim, we develop a consistent multi-orbital diagrammatic extension of dynamical mean field theory, which we apply to an anisotropic three-orbital model of cubic $t_{2g}$ symmetry. We find that the form of spatial spin fluctuations is governed by the local Hund's coupling. For small values of the coupling, magnetic fluctuations are anisotropic in orbital space, which reflects the symmetry of the considered $t_{2g}$ model. Large Hund's coupling enhances collective spin excitations, which mixes orbital and spatial degrees of freedom, and magnetic fluctuations become orbitally isotropic. Remarkably, this effect can be seen only in two-particle quantities; single-particle observables remain anisotropic for any value of the Hund's coupling. Importantly, we find that the orbital isotropy can be induced both, at half-filling and for the case of $4$ electrons per lattice site, where the magnetic instability is associated with different, antiferromagnetic and ferromagnetic modes, respectively.

cond-mat.str-el↗

arXiv2021

Tracking the Footprints of Spin Fluctuations: A MultiMethod, MultiMessenger Study of the Two-Dimensional Hubbard Model

The Hubbard model represents the fundamental model for interacting quantum systems and electronic correlations. Using the two-dimensional half-filled Hubbard model at weak coupling as a testing ground, we perform a comparative study of a comprehensive set of state of the art quantum many-body methods. Upon cooling into its insulating antiferromagnetic ground-state, the model hosts a rich sequence of distinct physical regimes with crossovers between a high-temperature incoherent regime, an intermediate temperature metallic regime and a low-temperature insulating regime with a pseudogap created by antiferromagnetic fluctuations. We assess the ability of each method to properly address these physical regimes and crossovers through the computation of several observables probing both quasiparticle properties and magnetic correlations, with two numerically exact methods (diagrammatic and determinantal quantum Monte Carlo) serving as a benchmark. By combining computational results and analytical insights, we elucidate the nature and role of spin fluctuations in each of these regimes. Based on this analysis, we explain how quasiparticles can coexist with increasingly long-range antiferromagnetic correlations, and why dynamical mean-field theory is found to provide a remarkably accurate approximation of local quantities in the metallic regime. We also critically discuss whether imaginary time methods are able to capture the non-Fermi liquid singularities of this fully nested system.

cond-mat.str-el↗

arXiv2020

Collective magnetic fluctuations in Hubbard plaquettes captured by fluctuating local field method

We establish a way to handle main collective fluctuations in correlated quantum systems based on a Fluctuation Local Field concept. This technique goes beyond standard mean-field approaches, such as Hartree-Fock and dynamical mean-field theories (DMFT), as it includes a fluctuating classical field that acts on the leading order parameter of the system. Effective model parameters of this new theory are determined from the variational principle, which allows to resolve the Fierz ambiguity in decoupling of the local interaction term. In the saddle-point approximation for the fluctuating field our method reproduces the mean-field result. The exact numerical integration over this field allows to consider nonlinear fluctuations of the global order parameter of the system while local correlations can be accounted by solving the DMFT impurity problem. We apply our method to the magnetic susceptibility of finite Hubbard systems at half-filling and demonstrate that the introduced technique leads to a superior improvement of results with respect to parental mean-field approaches without significant numerical complications. We show that the Fluctuation Local Field method can be used in a very broad range of temperatures substantially below the Néel temperature of DMFT, which remains a major challenge for all existing theoretical approaches.

cond-mat.str-el↗

arXiv2020

Dual fermion method as a prototype of generic reference-system approach for correlated fermions

We present a purely diagrammatic derivation of the dual fermion scheme [Phys. Rev. B 77 (2008) 033101]. The derivation makes particularly clear that a similar scheme can be developed for an arbitrary reference system provided it has the same interaction term as the original system. Thereby no restrictions are imposed by the locality of the reference problem or by the nature of the original problem as a lattice one. We present new arguments in favour of keeping the dual denominator in the expression for the lattice self-energy independently of the truncation of the dual interaction. As an example we present the computational results for the half-filled 2D Hubbard model with the choice of a $2\times2$ plaquette with periodic boundary conditions as a reference system. We observe that obtained results are in a good agreement with numerically exact lattice quantum Monte Carlo data.

cond-mat.str-el↗

arXiv2019

Affective Behaviour Analysis of On-line User Interactions: Are On-line Support Groups more Therapeutic than Twitter?

The increase in the prevalence of mental health problems has coincided with a growing popularity of health related social networking sites. Regardless of their therapeutic potential, On-line Support Groups (OSGs) can also have negative effects on patients. In this work we propose a novel methodology to automatically verify the presence of therapeutic factors in social networking websites by using Natural Language Processing (NLP) techniques. The methodology is evaluated on On-line asynchronous multi-party conversations collected from an OSG and Twitter. The results of the analysis indicate that therapeutic factors occur more frequently in OSG conversations than in Twitter conversations. Moreover, the analysis of OSG conversations reveals that the users of that platform are supportive, and interactions are likely to lead to the improvement of their emotional state. We believe that our method provides a stepping stone towards automatic analysis of emotional states of users of online platforms. Possible applications of the method include provision of guidelines that highlight potential implications of using such platforms on users' mental health, and/or support in the analysis of their impact on specific individuals.

cs.HC↗

arXiv2019

Active Annotation: bootstrapping annotation lexicon and guidelines for supervised NLU learning

Natural Language Understanding (NLU) models are typically trained in a supervised learning framework. In the case of intent classification, the predicted labels are predefined and based on the designed annotation schema while the labelling process is based on a laborious task where annotators manually inspect each utterance and assign the corresponding label. We propose an Active Annotation (AA) approach where we combine an unsupervised learning method in the embedding space, a human-in-the-loop verification process, and linguistic insights to create lexicons that can be open categories and adapted over time. In particular, annotators define the y-label space on-the-fly during the annotation using an iterative process and without the need for prior knowledge about the input data. We evaluate the proposed annotation paradigm in a real use-case NLU scenario. Results show that our Active Annotation paradigm achieves accurate and higher quality training data, with an annotation speed of an order of magnitude higher with respect to the traditional human-only driven baseline annotation methodology.

cs.CL↗

arXiv2018

ISO-Standard Domain-Independent Dialogue Act Tagging for Conversational Agents

Dialogue Act (DA) tagging is crucial for spoken language understanding systems, as it provides a general representation of speakers' intents, not bound to a particular dialogue system. Unfortunately, publicly available data sets with DA annotation are all based on different annotation schemes and thus incompatible with each other. Moreover, their schemes often do not cover all aspects necessary for open-domain human-machine interaction. In this paper, we propose a methodology to map several publicly available corpora to a subset of the ISO standard, in order to create a large task-independent training corpus for DA classification. We show the feasibility of using this corpus to train a domain-independent DA tagger testing it on out-of-domain conversational data, and argue the importance of training on multiple corpora to achieve robustness across different DA categories.

cs.CL↗

arXiv2016

Double occupancy in DMFT and the Dual Boson approach

We discuss the calculation of the double occupancy using Dynamical Mean-Field Theory (DMFT) in finite dimensions. The double occupancy can be determined from the susceptibility of the auxiliary impurity model or from the lattice susceptibility. The former method underestimates, whereas the latter overestimates the double occupancy. We illustrate this for the square-lattice Hubbard model. We propose an approach for which both methods lead to identical results by construction and which resolves this ambiguity. This self-consistent dual boson scheme results in a double occupancy that is numerically close to benchmarks available in the literature.

cond-mat.str-el↗