Scaling in the correlation energies of two-dimensional artificial atoms.

J Phys Condens Matter

COMP Centre of Excellence, Department of Applied Physics, Aalto University School of Science, PO Box 11100, FI-00076 AALTO, Espoo, Finland. Department of Physics, Tampere University of Technology, FI-33101 Tampere, Finland. Helsinki Institute of Physics, Aalto University, PO Box 11100, FI-00076 AALTO, Espoo, Finland.

Published: December 2013

We find an unexpected scaling in the correlation energy of artificial atoms, i.e., harmonically confined two-dimensional quantum dots. The scaling relation is found through extensive numerical examinations including Hartree-Fock, variational quantum Monte Carlo, density functional, and full configuration interaction calculations. We show that the correlation energy, i.e., the true ground-state total energy minus the Hartree-Fock total energy, follows a simple function of the Coulomb energy, confinement strength and number of electrons. We find an analytic expression for this function, as well as for the correlation energy per particle and for the ratio between the correlation and total energies. Our tests for independent diffusion Monte Carlo and coupled-cluster results for quantum dots-including open-shell data-confirm the generality of the scaling obtained. As the scaling also applies well to ≳100 electrons, our results give interesting prospects for the development of correlation functionals within density functional theory.

Download full-text PDF

Source
http://dx.doi.org/10.1088/0953-8984/25/50/505504DOI Listing

Publication Analysis

Top Keywords

correlation energy
12
scaling correlation
8
artificial atoms
8
monte carlo
8
density functional
8
total energy
8
energy
6
scaling
5
correlation
5
correlation energies
4

Similar Publications

Introduction: The purpose of this study was to review rates of infection after civilian ballistic fractures and assess the effect of early antibiotic administration (EAA) on infection rates.

Methods: This was a retrospective cohort study done at an urban Level 1 Trauma Center. Patients ages 16 years and older with ballistic orthopaedic extremity injuries between May 2018 and December 2020 were enrolled.

View Article and Find Full Text PDF

Burnout of healthcare workers is of increasing concern as workload pressures mount. Burnout is usually conceptualised as resulting from external pressures rather than internal resilience and although is not a diagnosable condition, it is related to help seeking for its psychological sequelae. To understand how staff support services can intervene with staff heading for burnout, it is important to understand what other intrapsychic factors are related to it.

View Article and Find Full Text PDF

Context: Trabecular bone score (TBS), a gray-level texture index derived from lumbar spine (LS) dual-energy x-ray absorptiometry (DXA) scans, is decreased in patients with diabetes and is associated with increased fracture risk, independent of areal bone mineral density (aBMD), but potentially influenced by abdominal fat tissue.

Objective: Evaluate effect of romosozumab (210 mg monthly) for 12 months followed by alendronate (70 mg weekly) for 24 months vs alendronate alone (70 mg weekly) for 36 months on LS aBMD and TBS in women with type 2 diabetes (T2D) enrolled in the ARCH study.

Methods: This post hoc analysis included women from ARCH who had T2D at baseline and LS DXA scans at baseline and ≥1 postbaseline visit (romosozumab-to-alendronate, n = 165; alendronate-to-alendronate, n = 195).

View Article and Find Full Text PDF

Homeobox C4 transcription factor promotes adipose tissue thermogenesis.

Diabetes

January 2025

Department of Pharmacology, School of Basic Medical Sciences, Capital Medical University, Beijing 100069, China.

The homeobox (HOX) family has shown potential in adipose development and function, yet the specific HOX proteins fueling adipose thermogenesis remain elusive. In this study, we uncovered the novel function of HOXC4 in stimulating adipose thermogenesis. Our bioinformatic analysis indicated an enrichment of Hoxc4 co-expressed genes in metabolic pathways and linked HOXC4 polymorphisms to metabolic parameters, suggesting its involvement in metabolic regulation.

View Article and Find Full Text PDF

The energies and geometries of the lowest lying singlet and triplet states of the four diradicals formed by removing two H atoms from thiophene have been characterized. We utilized the highly correlated, multireference methods configuration interaction with single and double excitations with and without the Pople correction for size-extensivity (MR-CISD+Q and MR-CISD) and averaged quadratic coupled cluster theory (MR-AQCC). CAS (8,7) and CAS (10,8) active spaces involving σ, σ*, π, and π* orbitals were employed along with the cc-pVDZ and cc-pVTZ basis sets.

View Article and Find Full Text PDF

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!