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In this communication, we represent a self-consistent systematic optimization procedure for the development of optimally tuned (OT) range-separated hybrid (RSH) functionals from \emph{first principles}. This is an offshoot of our recent…
Supervised fine-tuning (SFT) is a crucial step for adapting large language models (LLMs) to downstream tasks. However, conflicting objectives across heterogeneous SFT tasks often induce the "seesaw effect": optimizing for one task may…
The work aims effective and low-dimensional systems. Some different contexts involving gravitational and electromagnetic interactions are investigated. The electromagnetic one approaches bosonic and fermionic Effective Quantum Field…
In this work, we present a nonlocal expansion scheme to study correlated electron systems aiming at a better description of its spatial fluctuations at all length scales. Taking the nonlocal coupling as a perturbation to the local degrees…
We present a derivation of a recently proposed theory for the time dependence of density fluctuations in stationary states of strongly interacting, athermal, self-propelled particles. The derivation consists of two steps. First, we start…
The correlation entropy as a functional of radial distribution function $g(r)$ (or the total correlation function $h(r)=g(r)-1$) in classical fluids has been obtained from the second Legendre transform of the grand potential. We focus on…
This paper considers an optimization problem for a dynamical system whose evolution depends on a collection of binary decision variables. We develop scalable approximation algorithms with provable suboptimality bounds to provide…
Optimization methods have been broadly applied to two classes of objects viz. (i) modeling and description of data and (ii) the determination of the stationary points of functions. Here, a theoretical basis is developed that optimizes an…
We propose a practicable method for describing linear dynamics of different finite Fermi systems. The method is based on a general self-consistent procedure for factorization of the two-body residual interaction. It is relevant for diverse…
Difference schemes are considered for dynamical systems $ \dot x = f (x) $ with a quadratic right-hand side, which have $t$-symmetry and are reversible. Reversibility is interpreted in the sense that the Cremona transformation is performed…
This article presents an overview on recent progress in the theory of nonequilibrium Green functions (NEGF). NEGF, presently, are the only \textit{ab-initio} quantum approach that is able to study the dynamics of correlations for long times…
The strong-coupling perturbation theory (SCPT) for correlated electron systems is extended to the case of full Coulomb interaction. The Coulomb mechanism of the orbital polarization is discussed and attention is paid to the importance of…
These lectures aim to provide a pedagogical introduction to the philosophical underpinnings and technical features of Effective Field Theory (EFT). Improving control of $S$-matrix elements in the presence of a large hierarchy of physical…
To advance the foundation of one-particle reduced density matrix functional theory (1RDMFT) we refine and relate some of its fundamental features and underlying concepts. We define by concise means the scope of a 1RDMFT, identify its…
Simulating the long-term dynamics of multi-scale and multi-physics systems poses a significant challenge in understanding complex phenomena across science and engineering. The complexity arises from the intricate interactions between scales…
The dynamics of the spin-boson Hamiltonian is considered in the stochastic approximation. The Hamiltonian describes a two-level system coupled to an environment and is widely used in physics, chemistry and the theory of quantum measurement.…
Density functional theory (DFT) offers a desirable balance between quantitative accuracy and computational efficiency in practical many-electron calculations. Its central component, the exchange-correlation energy functional, has been…
In this paper we establish a connection between density functional theory (DFT) for lattice models and common real-space DFT. We consider the lattice DFT description of a two-level model subject to generic interactions in Mermin's DFT…
Systems obtained by quotienting a subshift of finite type (SFT) by another SFT are called finitely presented in the literature. Analogously, if a sofic shift is quotiented by a sofic equivalence relation, we call the resulting system…
We derive the self-energy functional theory for bosonic lattice systems with broken $U(1)$ symmetry by parametrizing the bosonic Baym-Kadanoff effective action in terms of one- and two-point self-energies. The formalism goes beyond other…