The stabilization method is used in conjunction with Koopmans-based approximation to calculate the energies of pi* temporary anion states of a series of substituted benzenes in density functional theory. In this approach, the Koopmans expression is corrected due to the consideration of the integer discontinuities in the exact exchange-correlation potential. Stabilization is accomplished by varying the exponents of appropriate diffuse functions. The energies of pi* states are then identified by investigating the relationship between the resultant eigenvalues and scale parameter. Results indicate that this approach can yield an improvement in the predictions of the absolute energies of pi* states over other methods.

In this paper, density functional theory is used to investigate (benzene)chromium tricarbonyl, (cyclopentadienyl)manganese tricarbonyl, (1,3-butadiene)iron tricarbonyl, and (cyclopentadienyl)cobalt dicarbonyl. For the energies of low-lying temporary anion states, the stabilized Koopmans-based (S-KB) and stabilized Koopmans theorem (S-KT) methods are adopted. Stabilization is accomplished by varying the exponents of appropriate diffuse functions. Results indicate that the calculations of S-KB using PBEPBE and S-KT using CAM-B3LYP are able to yield energies of temporary anion states in good agreement with the experimental values. Furthermore, the ionization potentials can be determined accurately via the Koopmans-based (KB) PBEPBE method.

In this paper, density functional theory (DFT) with asymptotically corrected potentials is used to investigate CH(3)CN, CH(3)NC, CH(3)SCN, and CH(3)NCS molecules. For the energies of σ* and π* temporary anion states, the stabilized Koopmans' theorem (S-KT) using long-range correction functional and stabilized Koopmans-based (S-KB) approximation using local functional, are adopted. The stabilization procedure is accomplished by varying the exponents of appropriate diffuse functions. Results indicate that the calculations based on asymptotically corrected density functionals can yield better energy results of temporary anion states over conventional DFT methods.

The Koopmans-based (KB) approximation is used to investigate the ionization potentials of ferrocene and dibenzene chromium in density functional theory. As to the energies of low-lying temporary anion states of these transition metal complexes, the stabilization method coupled with KB approximation (S-KB) is adopted. Here, the stabilization is accomplished by varying the exponents of appropriate diffuse functions. Results indicate that the S-KB method is much more successful than other methods in predicting absolute and relative energies of temporary anion states. Furthermore, the ionization potentials via KB approach are very close to the experimental values.

Selection of appropriate genetic markers to quantify phylogenetic diversity is crucial for community ecology studies. Yet, systematic evaluation of marker genes for this purpose is scarcely done. Recently, the combined effort of phycologists has produced a rich plastid genome resource with taxonomic representation spanning all of the major lineages of the red algae (Rhodophyta). In this proof‐of‐concept study, we leveraged this resource by developing and applying a phylogenomic strategy to seek candidate plastid markers suitable for phylogenetic community analysis. We ranked the core genes of 107 published plastid genomes based on various sequence‐derived properties and their tree distance to plastid genome phylogenies. The resulting ranking revealed that the most widely used marker, rbcL, is not necessarily the optimal marker, while other promising markers might have been overlooked. We designed and tested PCR primers for several candidate marker genes, and successfully amplified one of them, rpoC1, in a taxonomically broad set of red algal specimens. We suggest that our general marker identification methodology and the rpoC1 primers will be useful to the phycological community for investigating the biodiversity and community ecology of the red algae.

The care of dementia patients presents a large challenge for caregivers and family members. Whether it is at home or in institutional care, patients have problems with spatial and environmental cognition. It often leads to abnormal behaviors such as a route recognition problem, wandering, or even getting lost. These behaviors require caregivers to keep an eye on the movement of the cognitively impaired elderly and the safety of these movement processes, to avoid them approaching dangerous areas or leaving the care environment. This paper used qualitative research methods (i.e., participatory interviews, case studies, and contextual observation methods) in the demand exploration phase and quantitative research methods in the product’s technological verification phase. In this study, we implemented a three-stage service design process—demand exploration, demand definition, and design execution—to analyze the care status and route recognition obstacles of elders with dementia, to identify hidden needs as a turning point for new product innovations in care management and guidance security. This study summarizes six service needs for care management and guides the surveillance and safety of elders with dementia: (1) offering indoor user-centered guidance, (2) providing the instant location information of elders with dementia to caregivers, (3) landmarks setting, (4) assistance notification, (5) environmental route planning, (6) use of a wearable device as a guide for indoor route guidance. Based on the potential deficiencies and demands of observation, the care management and guidance security system (CMGSS) was designed. The experimental results show that the use of ultra-wide band positioning technology used in the indoor guiding system can accurately guide the behavior of patients to the right position, provide accurate information for caregivers, and record their daily behavior. The error range of this technology was not only within 42.42 cm in indoor static positioning but also within 55 cm in dynamic positioning, even where wall thickness was 18 cm. Although the device was designed for institutional care, it can also be applied to the management and care of general home-based patients.