相关论文: Extracting molecular potentials from insufficient …
Excited state normal modes analysis is systematically applied to investigate and compare relaxation and internal conversion dynamics of a free-base porphyrin with a novel functional porphyrin derivative. We discuss strenghts and limitation…
In this paper, we propose a general scale invariant approach for sparse signal recovery via the minimization of the $q$-ratio sparsity. When $1 < q \leq \infty$, both the theoretical analysis based on $q$-ratio constrained minimal singular…
In this paper we present a closed-form expression of the vibrational partition function for the one-dimensional q-deformed Morse potential energy model. Through this function the related thermodynamic functions are derived and studied in…
Quantum metrology enables estimation of optical phase shifts with precision beyond the shot-noise limit. One way to exceed this limit is to use squeezed states, where the quantum noise of one observable is reduced at the expense of…
Nonlinear optical microscopy techniques have emerged as a set of successful tools for biological imaging. Stimulated emission microscopy belongs to a small subset of pump-probe techniques which can image non-fluorescent samples without…
We present a method for quantum error mitigation on partially error-corrected quantum computers - i.e., computers with some logical qubits and some noisy qubits. Our method is inspired by the error cancellation method and is implemented via…
We propose a phase estimation protocol for optical interferometry that employs a probe state (containing on average n photons) obtained by squeezing each mode, separately, of a single photon path entangled Bell state. This scheme involves a…
This work presents a series of highly-accurate excited-state properties obtained using high-order coupled-cluster (CC) calculations performed with a series of diffuse containing basis sets, as well as extensive comparisons with experimental…
We consider the recovery of signals from their observations, which are samples of a transform of the signals rather than the signals themselves, by using machine learning (ML). We will develop a theoretical framework to characterize the…
Modeling the response of material and chemical systems to electric fields remains a longstanding challenge. Machine learning interatomic potentials (MLIPs) offer an efficient and scalable alternative to quantum mechanical methods but do not…
The calculation of self-energy corrections to the electron bands of a metal requires the evaluation of the intraband contribution to the polarizability in the small-q limit. When neglected, as in standard GW codes for semiconductors and…
We show that the construction of the linear interferometer in the Supplemental Material of arXiv:1909.09581 is flawed, leading to a generally suboptimal solution. We then provide the correct derivation of the optimal interferometric…
We compare three model-free numerical methods for inverting structural data to obtain interaction potentials, namely iterative Boltzmann inversion (IBI), test-particle insertion (TPI), and a machine-learning (ML) approach called ActiveNet.…
A new method, based on a Reverse Monte Carlo technique and aimed at the inverse problem in the analysis of interstellar (intergalactic) absorption lines is presented. We consider the process of line formation in media with a stochastic…
In many areas of imaging science, it is difficult to measure the phase of linear measurements. As such, one often wishes to reconstruct a signal from intensity measurements, that is, perform phase retrieval. In several applications the…
Extracellular local field potentials (LFP) are usually modeled as arising from a set of current sources embedded in a homogeneous extracellular medium. Although this formalism can successfully model several properties of LFPs, it does not…
Highly state-selective, weakly dissipative population transfer is used to irreversibly move the population of one ground state qubit level of an atomic ion to an effectively stable excited manifold with high fidelity. Subsequent laser…
Confounding and exposure measurement error can introduce bias when drawing inference about the marginal effect of an exposure on an outcome of interest. While there are broad methodologies for addressing each source of bias individually,…
The difference of the values of observables for the time-independent Schroedinger equation, with matrix valued potentials, and the values of observables for ab initio Born-Oppenheimer molecular dynamics, of the ground state, depends on the…
Excited state angular momentum alignment -- orientation conversion for atoms with hyperfine structure in presence of an external magnetic field is investigated. Transversal orientation in these conditions is reported for the first time.…