The general Numerov method employed to numerically solve ordinary differential equations of second order was adapted with a special focus on solving Schrödinger's equation. By formulating a hierarchy of novel stencil expressions for the numerical treatment of the Laplace operator in one, two and three dimensions the method could not only be simplified over the standard Numerov scheme. The improved framework enables the natural use of matrix sparsity to reduce the memory demand and the associated computing time, thus enabling the application of the method to larger problems. The performance of the adapted method is demonstrated using exemplary harmonic and Morse problems in one and two dimensions. Furthermore, the vibrational frequencies of molecular hydrogen and water are calculated, inherently considering the influence of anharmonicity, mode-mode coupling and nuclear quantum effects. The estimation of the tunneling splitting in malonaldehyde serves as an example for a two-dimensional problem.
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http://dx.doi.org/10.1039/c6cp06698d | DOI Listing |
Clin Implant Dent Relat Res
February 2025
Department of Implantology, The Affiliated Hospital of Stomatology, School of Stomatology, Zhejiang University School of Medicine, Hangzhou, China.
Objectives: This study aimed to assess the effects of deproteinized bovine bone mineral with collagen (DBBMC) combined with deproteinized bovine bone mineral (DBBM) on facial alveolar bone augmentation in the anterior maxillary region.
Materials And Methods: Patients receiving dental implant placement with simultaneous lateral bone augmentation using DBBM (control group) or DBBMC combined with DBBM (test group) were included in the study. The radiographic assessment of facial alveolar bone, such as facial horizontal bone thickness (FHBT), facial vertical bone level (FVBL), and square of facial bone (SFB), was taken by cone beam computed tomography (CBCT).
Eur J Med Res
January 2025
Division of Radiology, Saraburi Hospital, Saraburi, Thailand.
Introduction: Stroke-associated pneumonia (SAP) is a major cause of mortality during the acute phase of stroke. The ADS score is widely used to predict SAP risk but does not include 24-h non-contrast computed tomography-Alberta Stroke Program Early CT Score (NCCT-ASPECTS) or red cell distribution width (RDW). We aim to evaluate the added prognostic value of incorporating 24-h NCCT-ASPECTS and RDW into the ADS score and to develop a novel prediction model for SAP following thrombolysis.
View Article and Find Full Text PDFBMC Med Educ
January 2025
Department of Radiology and Tianjin Key Lab of Functional Imaging and Tianjin Institute of Radiology and State Key Laboratory of Experimental Hematology, Tianjin Medical University General Hospital, Tianjin, 300052, China.
Background: National Medical Licensing Examination (NMLE) is the entrance exam for medical practice in China, and its general medical knowledge test (GMKT) evaluates abilities of medical students to comprehensively apply medical knowledge to clinical practice. This study aimed to identify nonacademic predictors of GMKT performance, which would benefit medical schools in designing appropriate strategies and techniques to facilitate the transition from medical students to qualified medical practitioners.
Methods: In 1202 medical students, we conducted the deletion-substitution-addition (DSA) and structural equation model (SEM) analyses to identify nonacademic predictors of GMKT performance from 98 candidate variables including early life events, physical conditions, psychological and personality assessments, cognitive abilities, and socioeconomic conditions.
Behav Res Methods
January 2025
Department of Data Analysis, Ghent University, Henri Dunantlaan 1, 9000, Ghent, Belgium.
Model estimation for SEM analyses in commonly used software typically involves iterative optimization procedures, which can lead to nonconvergence issues. In this paper, we propose using random starting values as an alternative to the current default strategies. By drawing from uniform distributions within data-driven lower and upper bounds (see De Jonckere et al.
View Article and Find Full Text PDFEur J Clin Nutr
January 2025
Department of Nutrition and Food Safety, School of Public Health, Xi'an Jiaotong University, Xi'an, China.
Background/objectives: Understanding the dynamic changes in nutritional status of patients with non-Hodgkin's lymphoma (NHL) during chemotherapy is crucial, as it significantly impacts chemotherapy-related toxicity and survival outcomes.
Subjects/methods: This multi-center study included newly diagnosed NHL patients. Nutritional status and chemotherapy-related toxic effects were assessed over the first five chemotherapy sessions, with follow-ups conducted every 3 months.
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