Related papers: Fully Analytic Nuclear Gradients for the Bethe--Sa…
An atomic Bose-Einstein condensate (BEC) is often described as a macroscopic object which can be approximated by a coherent state. This, on the surface, would appear to indicate that its behavior should be close to being classical. In this…
Several searches for Beyond Standard Model physics rely on an accurate and highly precise theoretical description of the allowed $\beta$ spectrum. Following recent theoretical advances, a C++ implementation of an analytical description of…
We introduce a family of all-electron Gaussian basis sets, augmented MOLOPT, optimized for excited-state calculations on large molecules. We generate these basis sets by augmenting existing STO-3G, STO-6G, and MOLOPT basis sets optimized…
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…
Bayesian estimation approaches, which are capable of combining the information of experimental data from different likelihood functions to achieve high precisions, have been widely used in phase estimation via introducing a controllable…
Spectral estimation (SE) aims to identify how the energy of a signal (e.g., a time series) is distributed across different frequencies. This can become particularly challenging when only partial and noisy observations of the signal are…
We present a simple and accurate GW implementation based on a combination of a Laplace transformation (LT) and other acceleration techniques used in post-SCF quantum chemistry, namely, natural auxiliary functions and the frozen-core…
A new method for solving the Bethe-Salpeter equation is developed. It allows to find the Bethe-Salpeter amplitudes both in Minkowski and in Euclidean spaces and, as a by product, the light-front wave function. The method is valid for any…
In this paper and upcoming ones, we initiate a systematic study of Bethe ansatz equations for integrable models by modern computational algebraic geometry. We show that algebraic geometry provides a natural mathematical language and…
Two examples of recent progress in applications of the Dyson-Schwinger equation (DSE) formalism are presented: (1) Strong coupling quantum electrodynamics in 4 dimensions (QED$_4$) is an often studied model, which is of interest both in its…
The dispersion relations for nucleon-nucleon (NN) T-matrix in the framework of Bethe-Salpeter equation for two spin one-half particle system and with separable kernel of interaction are considered in the paper. The developed expressions are…
Precision measurements of $\beta$-decay observables offer the possibility to search for deviations from the Standard Model. A possible discovery of such deviations requires accompanying first-principles calculations. Here we compute the…
Quantum chemistry simulations offer a cost-effective way for computational design of BODIPY photosensitizers with potential use in photodynamic therapy (PDT). However, accurate predictions of photophysical properties, such as excitation…
Motivation: Modeling biological signaling networks using ordinary differential equations (ODEs) has proven to be a powerful technique for generating insight into cellular dynamics, but it typically requires estimating rate parameters based…
The algebraic Bethe ansatz can be performed rather abstractly for whole classes of models sharing the same $R$-matrix, the only prerequisite being the existence of an appropriate pseudo vacuum state. Here we perform the algebraic Bethe…
Despite the achievements of recent binarization methods on reducing the performance degradation of Binary Neural Networks (BNNs), gradient mismatching caused by the Straight-Through-Estimator (STE) still dominates quantized networks. This…
Given a locally consistent set of reduced density matrices, we construct approximate density matrices which are globally consistent with the local density matrices we started from when the trial density matrix has a tree structure. We…
We have recently constructed a large class of open quantum spin chains which have quantum-algebra symmetry and which are integrable. We show here that these models can be exactly solved using a generalization of the analytical Bethe Ansatz…
Phosphorene is a bidimensional material that has properties useful for semiconductor devices. In this work we studied the electronic and optical properties of this material using the $GW$ approximation and the Bethe-Salpeter equation (BSE)…
We perform differential expression analysis of high-throughput sequencing count data under a Bayesian nonparametric framework, removing sophisticated ad-hoc pre-processing steps commonly required in existing algorithms. We propose to use…