Electronic Quantum Monte Carlo Calculations of Atomic Forces, Vibrations, and Anharmonicities

Atomic forces are calculated for first-row monohydrides and carbon monoxide within electronic quantum Monte Carlo (QMC). Accurate and efficient forces are achieved by using an improved method for moving variational parameters in variational QMC. Newton's method with singular value decomposition (SVD) is combined with steepest descent (SD) updates along directions rejected by the SVD, after initial SD steps. Dissociation energies in variational and diffusion QMC agree well with experiment. The atomic forces agree quantitatively with potential energy surfaces, demonstrating the accuracy of this force procedure. The harmonic vibrational frequencies and anharmonicity constants, derived from the QMC energies and atomic forces, also agree well with experimental values.Comment: 6 pages, 2 figures; updated conten

Decomposition of homogeneous polynomials with low rank

Let $F$ be a homogeneous polynomial of degree $d$ in $m+1$ variables defined over an algebraically closed field of characteristic zero and suppose that $F$ belongs to the $s$-th secant varieties of the standard Veronese variety $X_{m,d}\subset \mathbb{P}^{{m+d\choose d}-1}$ but that its minimal decomposition as a sum of $d$-th powers of linear forms $M_1, ..., M_r$ is $F=M_1^d+... + M_r^d$ with $r>s$. We show that if $s+r\leq 2d+1$ then such a decomposition of $F$ can be split in two parts: one of them is made by linear forms that can be written using only two variables, the other part is uniquely determined once one has fixed the first part. We also obtain a uniqueness theorem for the minimal decomposition of $F$ if the rank is at most $d$ and a mild condition is satisfied.Comment: final version. Math. Z. (to appear

Condiciones orgánicas y correlaciones de fuerza del movimiento estudiantil chileno.: Una aproximación desde la Confech (2011-2015)*

This paper aims at analyzing the organizational changes in the Confederation of Chilean Students (CONFECH) in the period 2011-2015 and the complexities of the process of institutionalization in the context of the government of Sebastián Piñera and the subsequent administration of Michelle Bachelet. It argues, in the main, that the processes of growth and fragmentation of space CONFECH have generated an increase in the cost of decision-making and collective coordination has become more complex political management capacity of the Executive Board

Sistem Tebas Bakar dan Pengaruhnya terhadap Komponen Fisik Kimia Tanah Serta Vegetasi pada Ladang dan Lahan Bera (Studi Kasus di Desa Pruda Kecamatan Waiblama Kabupaten Sikka Provinsi Nusa Tenggara Timur)

Shifting cultivation by slash and burn system is an agricultural activity which is generally done farmers in dry land. Slash-and-burn is practiced by the farmers because it is easy and inexpensive, with aims to improve the content of nutrients in the soil, eradicate weeds, reduce costs, reduce the incidence of pests and diseases and to increase crop production. Land clearing by slash and burn system in a short period of time have a positive impact as the availability of N, P, K, Ca, Mg. However, long periods of slash and burn have negative impact there will be changes in physical and chemical components of soil and change the dominant vegetationin the fields and fallow land. These changes will affect the l evel of productivity of the soil, especially in the land which was done. To reduce the negative impacts, farm management system with slash and burn practices, should be considered with conservation activities, especially from the aspect of land management techniques. Those negative effect might be minimized by arious treatments such as time of burning tehnique, chosen of burned biomass, and time of digged biomass. All those should be supported by a basic information affect of burning to change of physical and chemical soil characteristic at various land cultivation and length of cultivation. Result of study that had been conducted at Pruda village, sub-district of Waiblama, district of Sikka, Propince of Nusa Tenggara Timur showed that total Nitrogen and C organic increased gradually when land has been 3 years fallow. Result of single factor showed that soil aggregation was a ffected significantly by fallow than cultivated land

Clinical reasoning in feline spinal disease: which combination of clinical information is useful?

The aim of this study was to evaluate if a combination of discrete clinical characteristics can be used to identify the most likely differential diagnoses in cats with spinal disease

Dungeons and Data: A Large-Scale NetHack Dataset

Recent breakthroughs in the development of agents to solve challenging sequential decision making problems such as Go [50], StarCraft [58], or DOTA [3], have relied on both simulated environments and large-scale datasets. However, progress on this research has been hindered by the scarcity of open-sourced datasets and the prohibitive computational cost to work with them. Here we present the NetHack Learning Dataset (NLD), a large and highly-scalable dataset of trajectories from the popular game of NetHack, which is both extremely challenging for current methods and very fast to run [23]. NLD consists of three parts: 10 billion state transitions from 1.5 million human trajectories collected on the NAO public NetHack server from 2009 to 2020; 3 billion state-action-score transitions from 100,000 trajectories collected from the symbolic bot winner of the NetHack Challenge 2021; and, accompanying code for users to record, load and stream any collection of such trajectories in a highly compressed form. We evaluate a wide range of existing algorithms including online and offline RL, as well as learning from demonstrations, showing that significant research advances are needed to fully leverage large-scale datasets for challenging sequential decision making tasks

Explicitly correlated trial wave functions in Quantum Monte Carlo calculations of excited states of Be and Be-

We present a new form of explicitly correlated wave function whose parameters are mainly linear, to circumvent the problem of the optimization of a large number of non-linear parameters usually encountered with basis sets of explicitly correlated wave functions. With this trial wave function we succeeded in minimizing the energy instead of the variance of the local energy, as is more common in quantum Monte Carlo methods. We applied this wave function to the calculation of the energies of Be 3P (1s22p2) and Be- 4So (1s22p3) by variational and diffusion Monte Carlo methods. The results compare favorably with those obtained by different types of explicitly correlated trial wave functions already described in the literature. The energies obtained are improved with respect to the best variational ones found in literature, and within one standard deviation from the estimated non-relativistic limitsComment: 19 pages, no figures, submitted to J. Phys.

Structure and dynamics of the nightside poleward boundary: Sounding rocket and ground-based observations of auroral electron precipitation in a rayed curtain

The Cascades2 auroral sounding rocket provides a case study for comparing multipoint in situ ionospheric observations of a nightside auroral poleward boundary intensification with ground-based optical observations of the same event. Cascades2 was launched northward from Poker Flat Alaska on 20 March 2009 at 11:04 UT. The 13 min flight reached an apogee of 564 km over the northern coast of Alaska. The experiment included a five-payload array of in situ instrumentation, ground cameras at three different points under the trajectory, multiple ground magnetometers, the Poker Flat Incoherent Scatter Radar (PFISR) radar, and the Time History of Events and Macroscale Interactions during Substorms (THEMIS) spacecraft in the magnetotail. The rays of the poleward boundary intensification (PBI) curtain have along-arc motions of 8.5 km/s and along-arc spacings of 16 km. Modulated maximum energy envelopes and energy fluxes of the associated electron precipitation correspond to this spatial structure of the visible rays. The electron precipitation is additionally modulated at a higher frequency, and velocity dispersion analysis of these 8 Hz signatures implies Alfvénic wave-particle acceleration of an ambient ionospheric electron source occurring a few hundred km above the observation point. These observations parameterize the curtain of Alfvénic activity above the PBI event, both in the dispersive ionosphere and in the magnetotail reconnection region. The along-arc variations in brightness correspond to variations in precipitating electron energy flux interpreted as an along-arc modulation of the maximum energy of the Alfvénic wave-particle acceleration process; this is a new interpretation of the formation of rayed structures in auroral curtains. We consider the various possible magnetospheric and ionospheric drivers for the control of the observed along-arc structuring and motions

Faire l’Union. La refondation des parties de droite après les élections de 2002

Un nouveau parti de droite, pour le moment dénommé UMP, a été mis en place entre des deux tours de l'élection présidentielle. Cet article se donne pour objectif d'analyser les enjeux de cette transformation. La genèse de l'UMP permet de saisir dans quelle mesure un parti poli-tique peut être conçu comme la connexion d'un ensemble de systèmes de coopération organisés autour de postes à conquérir. En effet, l'impératif d'unification de la droite française est lié au décalage persistant existant entre les systèmes de coopération législatif et présidentiel. Mais les questions soulevées par cette fusion partisane (l'UMP inclut le RPR, DL et une majeure partie de l'UDF) montrent que cette vision ne peut suffire et que les partis ne sont pas seulement des systèmes de coopération mais aussi des systèmes de production. Dès lors, leurs logiques d'organisation internes pèsent sur ce travail de transformation du social en politique, de la plu-ralité en homogénéité. Dans le cas de l'UMP, il s'agit d'abord de mettre en commun des modes de fonctionnement, en particulier de définir la place et la légitimité accordées respectivement aux adhérents et aux élus, mais aussi d'organiser l'expression de la pluralité idéologique par la mise en place de courants