Quantum monte carlo study of the energetics of small hydrogenated and fluoride lithium clusters.

An investigation of the energetics of small lithium clusters doped either with a hydrogen or with a fluorine atom as a function of the number of lithium atoms using fixed-node diffusion quantum Monte Carlo (DMC) simulation is reported. It is found that the binding energy (BE) for the doped clusters increases in absolute values leading to a more stable system than for the pure ones in excellent agreement with available experimental measurements. The BE increases for pure, remains almost constant for hydrogenated, and decreases rapidly toward the bulk lithium for the fluoride as a function of the number of lithium atoms in the clusters. The BE, dissociation energy as well as the second difference in energy display a pronounced odd-even oscillation with the number of lithium atoms. The electron correlation inverts the odd-even oscillation pattern for the doped in comparison with the pure clusters and has an impact of 29%-83% to the BE being higher in the pure cluster followed by the hydrogenated and then by the fluoride. The dissociation energy and the second difference in energy indicate that the doped cluster Li3 H is the most stable whereas among the pure ones the more stable are Li2 , Li4 , and Li6 . The electron correlation energy is crucial for the stabilization of Li3 H. © 2016 Wiley Periodicals, Inc.

[Evaluation of mother-and-child health care in an urban area of Southern Brazil]. / Avaliação da assistência à saúde da mulher e da criança em localidade urbana da região Sudeste do Brasil.

OBJECTIVE: To describe and analyze primary health care provided to mother-and-child population in Teresópolis, state of Rio de Janeiro, Brazil. METHODS: A population survey was performed at the main vaccination station on the local Vaccine National Day, to collect information about the use of health care services and preventive primary care. RESULTS: Information was collected from 329 mothers and their children. More than 90% of children had at least one pediatric visit in the past three months. Almost all had their growth chart, but in 30% of them the child's weight was not registered. There was a positive association between having a routine visit and the registration of the child's weight in the card (RP = 1.34; IC: 1.13-1.58; p = 0.0002). Around 59% of the mothers had a medical visit after giving after birth; 25% said they had never had a Pap smear test before, and 36% never had a breast examination. There was a positive association between the mother's age being over 20 years and ever having a Pap smear test (RP = 1.56; IC: 1.08-2.26; p = 0.03). Almost 70% of the mothers referred the use of any contraception method, and the most common used were contraceptive pills, condoms and tubal ligation. CONCLUSIONS: Despite some limitations, the results suggest a valid and useful methodology, which allows the identification of important needs in primary health care delivery to children and their mothers.