Related papers: Coherent potential approximation for spatially cor…
Most machine learning-based image segmentation models produce pixel-wise confidence scores that represent the model's predicted probability for each class label at every pixel. While this information can be particularly valuable in…
We derive the self-consistent random phase approximations (sc-RPA) from the projective truncation approximation (PTA) for the equation of motion of two-time Green's function. The obtained sc-RPA applies to arbitrary temperature and recovers…
Principal Component Analysis (PCA) has been widely used for dimensionality reduction and feature extraction. Robust PCA (RPCA), under different robust distance metrics, such as l1-norm and l2, p-norm, can deal with noise or outliers to some…
In this tutorial-style review we discuss basic concepts of coupled cluster theory and recent developments that increase its computational efficiency for calculations of molecules, solids and materials in general. We will touch upon the…
In a recent paper, J. Chem. Phys. 162, 214101 (2025), a novel approach for the rigidification of a molecular cluster was proposed, in which starting with an all-atom (AA) potential, a coarse-grained (CG) potential for the associated cluster…
We review some of the recent concepts and their realization exploiting the perfect destructive interference of light in micro and nano structures. One refers to optical structures where the effective absorption can be controlled and…
We explore different variants of the random phase approximation (RPA) to the correlation energy derived from closed-shell ring-diagram approximations to coupled cluster doubles theory. We implement these variants in range-separated…
We discuss a concept denoted as Conformal Prediction (CP) in this paper. While initially stemming from the world of machine learning, it was never applied or analyzed in the context of short-term electricity price forecasting. Therefore, we…
We present linear response theories in the continuum capable of describing continuum spectra and dynamical correlations of finite systems with no spatial symmetry. Our formulation is essentially the same as the continuum random-phase…
We present a numerical solution of the parquet approximation (PA), a conserving diagrammatic approach which is self-consistent at both the single-particle and the two-particle levels. The fully irreducible vertex is approximated by the bare…
We provide microscopic diagrammatic derivations of the the Molecular Coherent Potential Approximation (MCA) and Dynamical Cluster Approximation (DCA) and show that both are Phi-derivable. The MCA (DCA) maps the lattice onto a…
Sparse Principal Component Analysis (PCA) is a dimensionality reduction technique wherein one seeks a low-rank representation of a data matrix with additional sparsity constraints on the obtained representation. We consider two…
A general method is proposed for calculating a fully k-dependent, continuous, and causal spectral function A(k,E) within the recently introduced nonlocal version of the coherent-potential approximation (NLCPA). The method involves the…
Coherent perfect absorption (CPA)-the time-reversed operation of lasing at threshold-relies on finely tuned interference and is intrinsically fragile to disorder and structural imperfections. Whether absorption can be endowed with…
Local-spin-density functional calculations may be affected by severe errors when applied to the study of magnetic and strongly-correlated materials. Some of these faults can be traced back to the presence of the spurious self-interaction in…
We define the time-continuous spin coherent-state path integral in a way that is free from inconsistencies. The proposed definition is used to reproduce known exact results. Such a formalism opens new possibilities for applying…
We develop a microscopic theory of disorder-induced localization for a quantum particle moving in a fully ionized classical one-component plasma, within the static-fluctuation approximation. The random potential acting on the particle…
This work introduces a reduced-order model for plate structures with periodic micro-structures by coupling self-consistent clustering analysis (SCA) with the Lippmann-Schwinger equation, enabling rapid multiscale homogenisation of…
Developing theoretical understanding of complex reactions and processes at interfaces requires using methods that go beyond semilocal density functional theory to accurately describe the interactions between solvent, reactants and…
The relaxation time approximation (RTA) of the kinetic Boltzmann equation is likely the simplest window into the microscopic properties of collective real-time transport. Within this framework, we analytically compute all retarded two-point…