Exact conditions have long been used to guide the construction of density functional approximations. However, hundreds of empirical-based approximations tailored for chemistry are in use, of which many neglect these conditions in their design. We analyze well-known conditions and revive several obscure ones. Two crucial distinctions are drawn: that between necessary and sufficient conditions and that between all electronic densities and the subset of realistic Coulombic ground states. Simple search algorithms find that many empirical approximations satisfy many exact conditions for realistic densities and non-empirical approximations satisfy even more conditions than those enforced in their construction. The role of exact conditions in developing approximations is revisited.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1063/5.0172058 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Transient Osteoporosis of the Hip: A Case Report.
Cureus
December 2024
Rheumatology, Canadian Specialist Hospital, Dubai, ARE.
Transient osteoporosis of the hip (TOH), also known as bone marrow edema (BME), is an uncommon condition of unknown etiology. While transient osteoporosis usually affects the hip, it could affect other joints as well. The most common presentation is pain and it has been linked to reduced bone mineral density.
View Article and Find Full Text PDFRecent Advances in Managing Ankylosing Spondylitis with Andersson Lesion: A Clinical Overview and Case Report.
J Orthop Case Rep
January 2025
Department of Orthopaedics, Saveetha Institute of Medical and Technical Sciences, Chennai, Tamil Nadu, India.
Introduction: Ankylosing spondylitis (AS) is a chronic inflammatory disorder that primarily affects the spine and sacroiliac joints, leading to pain, stiffness, and progressive thoracolumbar kyphotic deformity. A key complication in advanced AS is the development of Andersson lesions (AL), degenerative vertebral lesions resulting from the disease's progression. These lesions can cause significant mechanical pain, often mistaken for the chronic discomfort associated with AS.
View Article and Find Full Text PDFFertility, pregnancy outcomes, and disease activity during pregnancy in patients with juvenile idiopathic arthritis: a descriptive study.
Clin Rheumatol
January 2025
Division of Rheumatology, Department of Internal Medicine, Cerrahpasa Medical Faculty, Istanbul University-Cerrahpasa, 34098, Istanbul, Turkey.
To investigate the fertility status, pregnancy outcomes, and disease activity during and after pregnancy in patients with juvenile idiopathic arthritis (JIA) currently being followed up at an adult rheumatology clinic. This study included 141 adult patients diagnosed with according to the International League of Associations for Rheumatology criteria, who are now monitored at an adult rheumatology clinic. Data on demographics, disease characteristics, medication history, fertility status, and pregnancy outcomes were collected through medical records and patient interviews.
View Article and Find Full Text PDFEffectiveness of negative pressure wound therapy in treating deep surgical site infections after spine surgery: a meta-analysis of single-arm studies.
J Orthop Surg Res
January 2025
Department of Orthopaedics, the 960th Hospital of PLA, 25 shifan Road, Tianqiao District, Jinan, Shandong, 250031, China.
Background: One of the common complications in spinal surgery patients is deep surgical site infections (SSIs). Deep SSIs refer to infections that involve the deeper soft tissues of the incision, such as the fascia and muscle layers. This complication can lead to prolonged hospitalization, repeated surgeries, and even life-threatening conditions.
View Article and Find Full Text PDFPrevalence of self-medication among university students diagnosed with temporomandibular disorders.
J Oral Facial Pain Headache
September 2024
Department of Dentistry, School of Health Sciences, University of Brasília (UnB), 70910-900 Brasília, DF, Brazil.
Temporomandibular disorders (TMD) usually affect the stomatognathic system and can be symptomatic. Patients often self-medicate to relieve symptoms, and this can increase the risk of complications such as adverse drug reactions, overdose, physical and psychological dependence, and delay of appropriate treatment. It is important for dentists to know the prevalence of self-medication to investigate this condition in their patients, thus the primary aim of this study was to estimate the prevalence of self-medication among university students with no TMD, non-painful TMD and painful TMD and the secondary aim was to assess association with independent factors.
View Article and Find Full Text PDFWant 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!