ChatGPT Use Among Pediatric Health Care Providers: Cross-Sectional Survey Study.

Background: The public launch of OpenAI's ChatGPT platform generated immediate interest in the use of large language models (LLMs). Health care institutions are now grappling with establishing policies and guidelines for the use of these technologies, yet little is known about how health care providers view LLMs in medical settings. Moreover, there are no studies assessing how pediatric providers are adopting these readily accessible tools.

Orbital optimisation in xTC transcorrelated methods.

We present a combination of the bi-orthogonal orbital optimisation framework with the recently introduced xTC version of transcorrelation. This allows us to implement non-iterative perturbation based methods on top of the transcorrelated Hamiltonian. Additionally, the orbital optimisation influences results of other truncated methods, such as the distinguishable cluster with singles and doubles.

Two determinant distinguishable cluster.

A two reference determinant version of the distinguishable cluster with singles and doubles (DCSD) has been developed. We have implemented the two determinant distinguishable cluster (2D-DCSD) and the corresponding traditional 2D-CCSD method in a new open-source package written in Julia called ElemCo.jl.

Results of inaugural international Down Syndrome Societal Services and Supports survey.

Purpose: We previously designed the Down Syndrome Societal Services and Supports Survey (DS-4S) to measure country-specific supports for people with Down syndrome (DS) across multiple life domains (healthcare, education, policy, independence, and community inclusion). We now report and analyze the results.

Methods: We partnered with international DS consortia, who distributed the DS-4S to 154 cumulative members representing over 100 countries.

xTC: An efficient treatment of three-body interactions in transcorrelated methods.

An efficient implementation for approximate inclusion of the three-body operator arising in transcorrelated methods via exclusion of explicit three-body components (xTC) is presented and tested against results in the "HEAT" benchmark set [Tajti et al., J. Chem.

Transcorrelated coupled cluster methods. II. Molecular systems.

We demonstrate the accuracy of ground-state energies of the transcorrelated Hamiltonian, employing sophisticated Jastrow factors obtained from variational Monte Carlo, together with the coupled cluster and distinguishable cluster methods at the level of singles and doubles excitations. Our results show that already with the cc-pVTZ basis, the transcorrelated distinguishable cluster method gets close to the complete basis limit and near full configuration interaction quality values for relative energies of over thirty atoms and molecules. To gauge the performance in different correlation regimes, we also investigate the breaking of the nitrogen molecule with transcorrelated coupled cluster methods.

Density Matrix Renormalization Group for Transcorrelated Hamiltonians: Ground and Excited States in Molecules.

We present the theory of a density matrix renormalization group (DMRG) algorithm which can solve for both the ground and excited states of non-Hermitian transcorrelated Hamiltonians and show applications in molecular systems. Transcorrelation (TC) accelerates the basis set convergence rate by including known physics (such as, but not limited to, the electron-electron cusp) in the Jastrow factor used for the similarity transformation. It also improves the accuracy of approximate methods such as coupled cluster singles and doubles (CCSD) as shown by recent studies.

Resolution of Electronic States in Heisenberg Cluster Models within the Unitary Group Approach.

In this work ground and excited electronic states of Heisenberg cluster models, in the form of configuration interaction many-body wave functions, are characterized within the spin-adapted Graphical Unitary Group Approach framework, and relying on a novel combined unitary and symmetric group approach. Finite-size cluster models of well-defined point-group symmetry and of general local-spin are presented, including - triangular and tetrahedral clusters, which are often used to describe magnetic interactions in biological and biomimetic polynuclear transition metal clusters with unique catalytic activity, such as nitrogen fixation and photosynthesis. We show that a unique block-diagonal structure of the underlying Hamiltonian matrix in the spin-adapted basis emerges when an optimal lattice site ordering is chosen that reflects the internal symmetries of the model investigated.

Designing an international survey for organisations serving people with Down syndrome.

Background: Down syndrome is the most common liveborn genetic condition. However, there are no surveys measuring societal services and supports for people with Down syndrome. We developed a questionnaire so that initiatives could be targeted towards countries most in need of assistance.

Direct-to-Consumer Teledermatology Growth: A Review and Outlook for the Future.

The direct-to-consumer (DTC) telemedicine industry, including teledermatology, has seen rapid expansion in recent years, partly because of the COVID-19 pandemic. The shortage of dermatologists and the visual nature of dermatologic conditions attracted DTC companies to dermatology. As more patients continue to seek medical consultations and prescription medications from these for-profit companies, we must approach their growth with healthy skepticism.

FCIQMC-Tailored Distinguishable Cluster Approach: Open-Shell Systems.

A recently proposed tailored approach based on the distinguishable cluster method and the stochastic FCI solver, FCIQMC [. 2020, 16, 5621], is extended to open-shell molecular systems. The method is employed to calculate spin gaps of various Fe(II) complexes, including a Fe(II) porphyrin model system.

Full configuration interaction quantum Monte Carlo treatment of fragments embedded in a periodic mean field.

We present an embedded fragment approach for high-level quantum chemical calculations on local features in periodic systems. The fragment is defined as a set of localized orbitals (occupied and virtual) corresponding to a converged periodic Hartree-Fock solution. These orbitals serve as the basis for the in-fragment post-Hartree-Fock treatment.

Spin Purification in Full-CI Quantum Monte Carlo via a First-Order Penalty Approach.

In this article, we demonstrate that a first-order spin penalty scheme can be efficiently applied to the Slater determinant based Full-CI Quantum Monte Carlo (FCIQMC) algorithm, as a practical route toward spin purification. Two crucial applications are presented to demonstrate the validity and robustness of this scheme: the Δ ← Σ vertical excitation in O and key spin gaps in a [MnO] cluster. In the absence of a robust spin adaptation/purification technique, both applications would be unattainable by Slater determinant based ground state methods, with any starting wave function collapsing into the higher-spin ground state during the optimization.

Transcorrelated coupled cluster methods.

Transcorrelated coupled cluster and distinguishable cluster methods are presented. The Hamiltonian is similarity transformed with a Jastrow factor in the first quantization, which results in up to three-body integrals. The coupled cluster with singles and doubles equations on this transformed Hamiltonian are formulated and implemented.

Accuracy of the distinguishable cluster approximation for triple excitations for open-shell molecules and excited states.

The distinguishable cluster approximation for triple excitations has been applied to calculate thermochemical properties and excited states involving closed-shell and open-shell species, such as small molecules, 3d transition metal atoms, ozone, and an iron-porphyrin model. Excitation energies have been computed using the ΔCC approach by directly optimizing the excited states. A fixed-reference technique has been introduced to target selected spin-states for open-shell molecular systems.

Per Oral Endoscopic Myotomy for Zenker's Diverticulum: A Novel and Superior Technique Compared With Septotomy?

Introduction: Endoscopic management of Zenker diverticuli (ZD) has traditionally been via septotomy technique. The recent development of tunneling technique has shown to be both efficacious and safe. The aim of this study is to evaluate the tunneling technique using per oral endoscopic myotomy (Z-POEM) versus septotomy.

Fragment-Based Restricted Active Space Configuration Interaction with Second-Order Corrections Embedded in Periodic Hartree-Fock Wave Function.

We present a computational scheme for restricted-active-space configuration interaction (RASCI) calculations combined with second-order perturbation theory (RASCI-PT2) on a fragment of a periodic system embedded in the periodic Hartree-Fock (HF) wave function. This method allows one to calculate the electronic structure of localized strongly correlated features in crystals and surfaces. The scheme was implemented via an interface between the and codes.

Assessing Different Approaches to Leveraging Historical Smoking Exposure Data to Better Select Lung Cancer Screening Candidates: A Retrospective Validation Study.

Introduction: There is mounting interest in the use of risk prediction models to guide lung cancer screening. Electronic health records (EHRs) could facilitate such an approach, but smoking exposure documentation is notoriously inaccurate. While the negative impact of inaccurate EHR data on screening practices reliant on dichotomized age and smoking exposure-based criteria has been demonstrated, less is known regarding its impact on the performance of model-based screening.

Epileptic spasms in individuals with Down syndrome: A review of the current literature.

Epilepsy can occur in individuals with Down syndrome (DS), with epileptic spasms representing the most frequent seizure type in this population. Epileptic spasms can have devastating consequences on the development of individuals with the condition. This review sought to explore the lifetime prevalence and underlying mechanism of epileptic spasms in this population.

FCIQMC-Tailored Distinguishable Cluster Approach.

The tailored approach is applied to the distinguishable cluster method together with a stochastic FCI solver (FCIQMC). It is demonstrated that the new method is more accurate than the corresponding tailored coupled cluster and the pure distinguishable cluster methods. An F12 correction for tailored methods and FCIQMC is introduced, which drastically improves the basis set convergence.

Endoscopic Ultrasound Guided Gastroenterostomy: What Is the Learning Curve?

Introduction: Endoscopic ultrasound guided gastroenterostomy (EUS-GE) is a minimally invasive option for gastric outlet obstruction. It requires skills in endoscopic ultrasound, fluoroscopy, and lumen-apposing metal stent deployment. The aim of this study was to determine the learning curve for EUS-GE.