How to check EME version in ab initio?
Answers from top 7 papers
More filters
| Papers (7) | Insight |
|---|---|
112 Citations | It supports the recent ab initio calculation. |
| The newly calculated ab initio spectrum is in very good agreement with experiment throughout the above spectral range, both in band positions and intensities. | |
86 Citations | It is suggested that the present experimental results provide new target values for validation of future ab initio calculations. |
| While Ames and UCL ab initio intensities are believed to be accurate within a few % for the strong unperturbed bands, the reported measurements allow testing important (>50%) differences between ab initio values of some weak perturbed bands. | |
| Our results add to the existing ab initio database for use in fitting and testing interatomic potentials. | |
97 Citations | The results compare well with previous ab initio all-electron calculations and with experimental data. |
101 Citations | Moreover, the method has been shown to be efficient and to be easily implemented in each ab initio software package. |
Related Questions
What are current methods for intalling EMAT's in a material for testing?5 answersCurrent methods for installing EMATs in a material for testing involve advanced techniques such as multiwavelength EMAT design, magneto-acoustic compound inspection, and optimization of EMAT parameters through finite element modeling. Multiwavelength EMATs are designed based on spatial-domain harmonic control to generate guided waves with multiple wavelengths, enhancing defect assessment accuracy. Magneto-acoustic compound inspection combines ultrasonic waves and pulsed eddy current obtained by EMATs to improve testing efficiency and robustness in ferromagnetic materials. Additionally, finite element modeling helps optimize EMAT parameters for increased signal intensity during testing in both ferromagnetic and nonferromagnetic materials. These methods showcase the evolution of EMAT installation techniques for non-destructive testing applications.
How to validate enterprise architecture?5 answersTo validate enterprise architecture, various approaches can be used. One approach is to use a scenario-based method, which involves representing requirements as scenarios of probable changes and analyzing the impact of these changes on the architecture. Another approach is to use a logic-based framework, which addresses the challenges identified in the field of enterprise architecture. Architecture validation can also be conducted using industry-recognized techniques such as questionnaire-driven approaches, scenario-based approaches, and decision-based approaches. Additionally, formalized rules can be applied to monitor the validity and coherence of architectural elements within an enterprise architecture model, enabling organizations to manage and control the process of EA change.
What are the advantages and disadvantages of the ab initio method?5 answersThe ab initio method has several advantages and disadvantages. One advantage is that it allows for accurate prediction of water properties using a low-cost approach. Another advantage is that it enables the discovery of novel folds and folding mechanisms in protein structure prediction. However, a limitation of ab initio methods is that they are restricted to small proteins and cannot explore novel folds. In the field of lead halide perovskite synthesis, ab initio methods have been classified into thin-film technology and colloidal nanoparticle synthesis, offering advantages such as pioneer examples and recent advances, but also drawbacks. In X-ray scattering, going beyond the Independent Atom Model (IAM) used in ab initio methods allows for the correct consideration of valence electrons and electronically excited wave functions, but it requires computationally efficient and accurate solutions. Finally, in the study of hypernuclei, ab initio frameworks connect ill-constrained hyperon-nucleon (YN) interactions to observables, enabling predictions and improvements, but also requiring technical considerations.
How do I check my MRI scan?5 answers
How to Check System hardware information like BIOS version vendor?9 answers
How to remove duplicates using rollup in ab initio?13 answers