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In electronic structure calculations the optimized effective potential (OEP) is a method that treats exchange interactions exactly using a local potential within density-functional theory (DFT). We present a method using density functional…
We study Bayesian methods for large-scale linear inverse problems, focusing on the challenging task of hyperparameter estimation. Typical hierarchical Bayesian formulations that follow a Markov Chain Monte Carlo approach are possible for…
We propose a formal framework for a noncommutative Kadomtsev--Petviashvili (KP) hierarchy which is covariant under the action of $SU(3)$ and compatible with a Lorentzian structure encoded in a twisted quaternionic (or Clifford) algebra. The…
The Quantum Symmetric Simple Exclusion Process (Q-SSEP) is a model for quantum stochastic dynamics of fermions hopping along the edges of a graph with Brownian noisy amplitudes and driven out-of-equilibrium by injection-extraction processes…
The optimized effective potential (OEP) method presents an unambiguous way to construct the Kohn-Sham potential corresponding to a given diagrammatic approximation for the exchange-correlation functional. The OEP from the random-phase…
We present the fermionic representation for the q-deformed hypergeometric functions related to Schur polynomials considered by S.Milne \cite{Milne}. For $q=1$ these functions are also known as hypergeometric functions of matrix argument…
Applicability of the previously introduced method of modified diagonal Baker-Gammel approximants is extended to truncated perturbative series (TPS) of any order in gauge theories. The approximants reproduce the TPS when expanded in power…
Many eigenvalue matrix models possess a peculiar basis of observables which have explicitly calculable averages. This explicit calculability is a stronger feature than ordinary integrability, just like the cases of quadratic and Coulomb…
We establish deep and remarkable connections among partial differential equations (PDEs) integrable by different methods: the inverse spectral transform method, the method of characteristics and the Hopf-Cole transformation. More…
Density functional theory (DFT) embedding provides a formally exact framework for interfacing correlated wave-function theory (WFT) methods with lower-level descriptions of electronic structure. Here, we report techniques to improve the…
New extensions of the KP and modified KP hierarchies with self-consistent sources are proposed. The latter provide new generalizations of $(2+1)$-dimensional integrable equations, including the DS-III equation and the $N$-wave problem.…
We show that $~N=1$~ {\it supersymmetric} Kadomtsev-Petviashvili (SKP) equations can be embedded into recently formulated $~N=1$~ self-dual {\it supersymmetric} Yang-Mills theories after appropriate dimensional reduction and truncation,…
We introduce an orbital-optimized double-hybrid (DH) scheme using the optimized-effective-potential (OEP) method. The orbitals are optimized using a local potential corresponding to the complete exchange-correlation energy expression…
Screened range-separated hybrid (SRSH) functionals within generalized Kohn-Sham density functional theory (GKS-DFT) have been shown to restore a general $1/(r\varepsilon)$ asymptotic decay of the electrostatic interaction in dielectric…
The bound state solutions of the $D$-dimensional Schr\"{o}dinger equation for new mixed class of potential, $V(r)=\frac{V_1}{r^2}+\frac{V_2e^{-\alpha r}}{r}+V_3coth\alpha r+V_4\,,$ are studied within the framework of the Pekeris…
Given a complex, separable Hilbert space $\cH$, we consider differential expressions of the type $\tau = - (d^2/dx^2) + V(x)$, with $x \in (a,\infty)$ or $x \in \bbR$. Here $V$ denotes a bounded operator-valued potential $V(\cdot) \in…
In the study of model electronic device systems where electrons are typically under confinement, a key obstacle is the need to iteratively solve the coupled Schr\"{o}dinger-Poisson (SP) equation. It is possible to bypass this obstacle by…
For a simple Lie algebra $\mathfrak{g}$ and an irreducible faithful representation $\pi$ of $\mathfrak{g}$, we introduce the Schur polynomials of $(\mathfrak{g},\pi)$-type. We then derive the Sato-Zhou type formula for tau functions of the…
We investigate concentration properties of functions of random vectors with values in the discrete cube, satisfying the stochastic covering property (SCP) or the strong Rayleigh property (SRP). Our result for SCP measures include…
Starting from free charged fermions we give equivalent definitions of the $n\/$-component KP hierarchy, in terms of $\tau\/$-functions $\tau_\alpha\/$ (where $\alpha \in M =\/$ root lattice of $sl_n\/$), in terms of $n \times n\/$ matrix…