Controlling collisional loss and scattering lengths of ultracold dipolar molecules with static electric fields

Trapped samples of ultracold molecules are often short-lived, because close collisions between them result in trap loss. We investigate the use of shielding with static electric fields to create repulsive barriers between polar molecules to prevent such loss. Shielding is very effective even for RbCs, with a relatively low dipole moment, and even more effective for molecules such as NaK, NaRb and NaCs, with progressively larger dipoles. Varying the electric field allows substantial control over the scattering length, which will be crucial for the stability or collapse of molecular Bose-Einstein condensates. This arises because the dipole-dipole interaction creates a long-range attraction that is tunable with electric field. For RbCs, the scattering length is positive across the range where shielding is effective, because the repulsion responsible for shielding dominates. For NaK, the scattering length can be tuned across zero to negative values. For NaRb and NaCs, the attraction is strong enough to support tetraatomic bound states, and the scattering length passes through resonant poles where these states cross threshold. For KAg and CsAg, there are multiple bound states and multiple poles. For each molecule, we calculate the variation of scattering length with field and comment on the possibilities for exploring new physics.Comment: 12 pages, 8 figures and 1 tabl

Global burden of 288 causes of death and life expectancy decomposition in 204 countries and territories and 811 subnational locations, 1990–2021: a systematic analysis for the Global Burden of Disease Study 2021

BACKGROUND Regular, detailed reporting on population health by underlying cause of death is fundamental for public health decision making. Cause-specific estimates of mortality and the subsequent effects on life expectancy worldwide are valuable metrics to gauge progress in reducing mortality rates. These estimates are particularly important following large-scale mortality spikes, such as the COVID-19 pandemic. When systematically analysed, mortality rates and life expectancy allow comparisons of the consequences of causes of death globally and over time, providing a nuanced understanding of the effect of these causes on global populations. METHODS The Global Burden of Diseases, Injuries, and Risk Factors Study (GBD) 2021 cause-of-death analysis estimated mortality and years of life lost (YLLs) from 288 causes of death by age-sex-location-year in 204 countries and territories and 811 subnational locations for each year from 1990 until 2021. The analysis used 56 604 data sources, including data from vital registration and verbal autopsy as well as surveys, censuses, surveillance systems, and cancer registries, among others. As with previous GBD rounds, cause-specific death rates for most causes were estimated using the Cause of Death Ensemble model-a modelling tool developed for GBD to assess the out-of-sample predictive validity of different statistical models and covariate permutations and combine those results to produce cause-specific mortality estimates-with alternative strategies adapted to model causes with insufficient data, substantial changes in reporting over the study period, or unusual epidemiology. YLLs were computed as the product of the number of deaths for each cause-age-sex-location-year and the standard life expectancy at each age. As part of the modelling process, uncertainty intervals (UIs) were generated using the 2·5th and 97·5th percentiles from a 1000-draw distribution for each metric. We decomposed life expectancy by cause of death, location, and year to show cause-specific effects on life expectancy from 1990 to 2021. We also used the coefficient of variation and the fraction of population affected by 90% of deaths to highlight concentrations of mortality. Findings are reported in counts and age-standardised rates. Methodological improvements for cause-of-death estimates in GBD 2021 include the expansion of under-5-years age group to include four new age groups, enhanced methods to account for stochastic variation of sparse data, and the inclusion of COVID-19 and other pandemic-related mortality-which includes excess mortality associated with the pandemic, excluding COVID-19, lower respiratory infections, measles, malaria, and pertussis. For this analysis, 199 new country-years of vital registration cause-of-death data, 5 country-years of surveillance data, 21 country-years of verbal autopsy data, and 94 country-years of other data types were added to those used in previous GBD rounds. FINDINGS The leading causes of age-standardised deaths globally were the same in 2019 as they were in 1990; in descending order, these were, ischaemic heart disease, stroke, chronic obstructive pulmonary disease, and lower respiratory infections. In 2021, however, COVID-19 replaced stroke as the second-leading age-standardised cause of death, with 94·0 deaths (95% UI 89·2-100·0) per 100 000 population. The COVID-19 pandemic shifted the rankings of the leading five causes, lowering stroke to the third-leading and chronic obstructive pulmonary disease to the fourth-leading position. In 2021, the highest age-standardised death rates from COVID-19 occurred in sub-Saharan Africa (271·0 deaths [250·1-290·7] per 100 000 population) and Latin America and the Caribbean (195·4 deaths [182·1-211·4] per 100 000 population). The lowest age-standardised death rates from COVID-19 were in the high-income super-region (48·1 deaths [47·4-48·8] per 100 000 population) and southeast Asia, east Asia, and Oceania (23·2 deaths [16·3-37·2] per 100 000 population). Globally, life expectancy steadily improved between 1990 and 2019 for 18 of the 22 investigated causes. Decomposition of global and regional life expectancy showed the positive effect that reductions in deaths from enteric infections, lower respiratory infections, stroke, and neonatal deaths, among others have contributed to improved survival over the study period. However, a net reduction of 1·6 years occurred in global life expectancy between 2019 and 2021, primarily due to increased death rates from COVID-19 and other pandemic-related mortality. Life expectancy was highly variable between super-regions over the study period, with southeast Asia, east Asia, and Oceania gaining 8·3 years (6·7-9·9) overall, while having the smallest reduction in life expectancy due to COVID-19 (0·4 years). The largest reduction in life expectancy due to COVID-19 occurred in Latin America and the Caribbean (3·6 years). Additionally, 53 of the 288 causes of death were highly concentrated in locations with less than 50% of the global population as of 2021, and these causes of death became progressively more concentrated since 1990, when only 44 causes showed this pattern. The concentration phenomenon is discussed heuristically with respect to enteric and lower respiratory infections, malaria, HIV/AIDS, neonatal disorders, tuberculosis, and measles. INTERPRETATION Long-standing gains in life expectancy and reductions in many of the leading causes of death have been disrupted by the COVID-19 pandemic, the adverse effects of which were spread unevenly among populations. Despite the pandemic, there has been continued progress in combatting several notable causes of death, leading to improved global life expectancy over the study period. Each of the seven GBD super-regions showed an overall improvement from 1990 and 2021, obscuring the negative effect in the years of the pandemic. Additionally, our findings regarding regional variation in causes of death driving increases in life expectancy hold clear policy utility. Analyses of shifting mortality trends reveal that several causes, once widespread globally, are now increasingly concentrated geographically. These changes in mortality concentration, alongside further investigation of changing risks, interventions, and relevant policy, present an important opportunity to deepen our understanding of mortality-reduction strategies. Examining patterns in mortality concentration might reveal areas where successful public health interventions have been implemented. Translating these successes to locations where certain causes of death remain entrenched can inform policies that work to improve life expectancy for people everywhere. FUNDING Bill & Melinda Gates Foundation

Five Electronic State Beyond Born–Oppenheimer Equations and Their Applications to Nitrate and Benzene Radical Cation

We present explicit form of Adiabatic to Diabatic Transformation (ADT) equations and expressions of non-adiabatic coupling terms (NACTs) for a coupled five-state electronic manifold in terms of ADT angles between electronic wave functions. ADT matrices eliminate the numerical instability arising from singularity of NACTs and transform the adiabatic Schrödinger equation to its diabatic form. Two real molecular systems NO₃ and C₆H₆⁺ (Bz⁺) are selectively chosen for the demonstration of workability of those equations. We examine the NACTs among the lowest five electronic states of the NO₃ radical [X̃²A₂^′ (1²B₂), òE″ (1²A₂ and 1²B₁) and B̃²E′ (1²A₁ and 2²B₂)], in which all types of non-adiabatic interactions, that is, Jahn–Teller (JT) interactions, Pseudo Jahn–Teller (PJT) interactions, and accidental conical intersections (CIs) are present. On the other hand, lowest five electronic states of Bz⁺ [X̃²E_1g (1²B_3g and 1²B_2g), B̃²E_2g (1²A_g and 1²B_1g), and C̃²A_2u (1²B_1u)] depict similar kind of complex feature of non-adiabatic effects. For NO₃ radical, the two components of degenerate in-plane asymmetric stretching mode are taken as a plane of nuclear configuration space (CS), whereas in case of Bz⁺, two pairs are chosen: One is the pair of components of degenerate in-plane asymmetric stretching mode, and the other one is constituted with one of the components each from out-of-plane degenerate bend and in-plane degenerate asymmetric stretching modes. We calculate ab initio adiabatic potential energy surfaces (PESs) and NACTs among the lowest five electronic states at the CASSCF level using MOLPRO quantum chemistry package. Subsequently, the ADT is performed using those newly developed equations to validate the positions of the CIs, evaluate the ADT angles and construct smooth, symmetric, and continuous diabatic PESs for both the molecular systems

Feshbach resonances and molecule formation in ultracold mixtures of Rb and Yb(3P) atoms

We have investigated magnetically tunable Feshbach resonances in ultracold collisions of Rb with Yb in its metastable 3P2 and 3P0 states, using coupled-channel scattering and bound-state calculations. For the 3P2 state, we find sharp resonances when both atoms are in their lowest Zeeman sublevels. However, these resonances are decayed by inelastic processes that produce Yb atoms in 3P1 and 3P0 states. The molecules that might be produced by magnetoassociation at the 3P2 thresholds can decay by similar pathways and would have lifetimes no more than a few microseconds. For the 3P0 state, by contrast, there are resonances that are promising for magnetoassociation. There are resonances due to both rotating and nonrotating molecular states that are significantly stronger than the analogous resonances for Yb(1S). The ones due to rotating states are denser in magnetic field; in contrast to Yb(1S), they exist even for bosonic isotopes of Yb(3P0)

Non-adiabatic coupling as a frictional force in the formation of H

By treating the non-adiabatic coupling terms (NACTs) in a molecular system as equivalent to a frictional force, the classical equation of motion is solved for a test case of quasi-${\mathrm{H}}_3^{+}$ along the C2v axis and axes parallel to it, and it is shown that the singular NACTs between the first two excited electronic states slow down the relative motion of the three quasi-ions (H,H,H)+ while approaching each other