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The problem with the use of scaling arguments for simultaneous studies of different weak interaction processes is discussed. When different neutrino scattering cross sections involving quite different momentum transfers are being compared…
Molecule-optimized basis sets, based on approximate natural orbitals, are developed for accelerating the convergence of quantum calculations with strongly correlated (multi-referenced) electrons. We use a low-cost approximate solution of…
The quartic force field of SO$_3$ was computed fully ab initio using coupled cluster (CCSD(T)) methods and basis sets of up to $spdfgh$ quality. The effect of inner-shell correlation was taken into account. The addition of tight $d$…
Molecular simulations and biophysical experiments can be used to provide independent and complementary insights into the molecular origin of biological processes. A particularly useful strategy is to use molecular simulations as a modelling…
Chemical potential oscillations mix individual-band frequencies of the de Haas-van Alphen (dHvA) and Shubnikov-de Haas (SdH) magneto-oscillations in canonical low-dimensional multi-band Fermi liquids. We predict a similar mixing in…
Quantum noise in a model of singly resonant frequency doubling including phase mismatch and driving in the harmonic mode is analyzed. The general formulae about the fixed points and their stability as well as the squeezing spectra…
Recently Nelson et al. proposed an interesting flavor symmetric model to account for the top quark forward-backward asymmetry and the dijet anomaly at CDF simultaneously with just three parameters: a coupling constant of order one, and two…
The complexity of the standard hierarchy of quantum chemistry methods is not invariant to the choice of representation. This work explores how the scaling of common quantum chemistry methods can be reduced using real-space, momentum-space,…
Elastomeric mechanical metamaterials exhibit unconventional behaviour, emerging from their microstructures often deforming in a highly nonlinear and unstable manner. Such microstructural pattern transformations lead to non-local behaviour…
The Coherent Multiplex is formalized and validated as a scalable, real-time system for identifying, analyzing, and visualizing coherence among multiple time series. Its architecture comprises a fast spectral similarity layer based on cosine…
We consider a novel approach to the nuclear shell model. The one-dimensional harmonic oscillator in a box is used to introduce the concept of an oblique-basis shell-model theory. By implementing the Lanczos method for diagonalization of…
ScaleLat (Scale Lattice) is a computer program written in C for performing the atomic structure analysis of multi-phase system or high entropy alloys (HEAs). The program implements an atomic cluster extraction algorithm to obtain all…
The tailored coupled cluster (TCC) approach is a promising ansatz that preserves the simplicity of single-reference coupled cluster theory, while incorporating a multi-reference wave function through amplitudes obtained from a preceding…
For materials of varying band gap, we compare energy levels of atomically localized defects calculated within a semilocal and a hybrid density-functional scheme. Since the latter scheme partially relieves the band gap problem, our study…
Symbol synchronization refers to the estimation of the start of a symbol interval and is needed for reliable detection. In this paper, we develop several symbol synchronization schemes for molecular communication (MC) systems where we…
Scaling laws are typically fit using a family of models with a narrow range of frozen hyperparameter choices. In this work we study scaling laws using multiple architectural shapes and hyperparameter choices, highlighting their impact on…
Effective mixing is essential for biochemical reactions. In droplet-based microfluidics, immediate mixing of substances upon contact in the droplet formation stage can greatly enhance the uniformity of chemical reactions. Furthermore, it…
Estimating a covariance matrix is an important task in applications where the number of variables is larger than the number of observations. Shrinkage approaches for estimating a high-dimensional covariance matrix are often employed to…
This paper presents and compares three analytical methods for calculating low frequency band gap boundaries in doubly periodic arrays of resonating thin elastic shells. It is shown that both lattice sum expansions in the vicinity of its…
We investigate the status of predictive fermion mass ansatzes which make use of the grand unification scale conditions $m_e=m_d/3$, $m_\mu =3m_s$, and $\mid V_{cb}\mid =\sqrt{m_{c}/m_{t}}$ in non-supersymmetric SO(10) grand unification. The…