State Dependent Ring Polymer Molecular Dynamics for Investigating Excited Nonadiabatic Dynamics

Recently proposed non-adiabatic ring polymer molecular dynamics (NRPMD) approach has shown to provide accurate quantum dynamics by incorporating explicit electronic state descriptions and nuclear quantizations. Here, we present a rigorous derivation of the NRPMD Hamiltonian and investigate its performance on simulating excited state non-adiabatic dynamics. Our derivation is based on the Meyer-Miller-Stock-Thoss (MMST) mapping representation for electronic states and the ring-polymer path-integral description for nuclei, resulting in the same Hamiltonian proposed in the original NRPMD approach. In addition, we investigate the accuracy of using NRPMD to simulate photoinduced non-adiabatic dynamics in simple model systems. These model calculations suggest that NRPMD can alleviate the zero-point energy leakage problem that is commonly encountered in the classical Wigner dynamics, and provide accurate excited states non-adiabatic dynamics. This work provides a solid theoretical foundation of the promising NRPMD Hamiltonian and demonstrates the possibility of using state-dependent RPMD approach to accurately simulate electronic non-adiabatic dynamics while explicitly quantize nuclei

(2+1) resonant enhanced multiphoton ionization of H_2 via the E, F^(1)Σ^+_g state

In this paper, we report the results of ab initio calculations of photoelectron angular distributions and vibrational branching ratios for the (2+1) REMPI of H_2 via the E, F^(1)Σ^+_g state, and compare these with the experimental data of Anderson et al. [Chem. Phys. Lett. 105, 22 (1984)]. These results show that the observed non‐Franck–Condon behavior is predominantly due to the R dependence of the transition matrix elements, and to a lesser degree to the energy dependence. This work presents the first molecular REMPI study employing a correlated wave function to describe the Rydberg–valence mixing in the resonant intermediate state

China's energy consumption in the building sector: A Statistical Yearbook-Energy Balance Sheet based splitting method

China's energy consumption in the building sector (BEC) is not counted as a separate type of energy consumption, but divided and mixed in other sectors in China's statistical system. This led to the lack of historical data on China's BEC. Moreover, previous researches' shortages such as unsystematic research on BEC, various estimation methods with complex calculation process, and difficulties in data acquisition resulted in “heterogeneous” of current BEC in China. Aiming to these deficiencies, this study proposes a set of China building energy consumption calculation method (CBECM) by splitting out the building related energy consumption mixed in other sectors in the composition of China Statistical Yearbook-Energy Balance Sheet. Then, China's BEC from 2000 to 2014 are estimated using CBECM and compared with other studies. Results show that, from 2000 to 2014, China's BEC increased 1.7 times, rising from 301 to 814 million tons of standard coal consumed, with the BEC percentage of total energy consumption stayed relatively stable between 17.7% and 20.3%. By comparison, we find that our results are reliable and the CBECM has the following advantages over other methods: data source is authoritative, calculation process is concise, and it is easy to obtain time series data on BEC etc. The CBECM is particularly suitable for the provincial government to calculate the local BEC, even in the circumstance with statistical yearbook available only

When and where do you want to hide? Recommendation of location privacy preferences with local differential privacy

In recent years, it has become easy to obtain location information quite precisely. However, the acquisition of such information has risks such as individual identification and leakage of sensitive information, so it is necessary to protect the privacy of location information. For this purpose, people should know their location privacy preferences, that is, whether or not he/she can release location information at each place and time. However, it is not easy for each user to make such decisions and it is troublesome to set the privacy preference at each time. Therefore, we propose a method to recommend location privacy preferences for decision making. Comparing to existing method, our method can improve the accuracy of recommendation by using matrix factorization and preserve privacy strictly by local differential privacy, whereas the existing method does not achieve formal privacy guarantee. In addition, we found the best granularity of a location privacy preference, that is, how to express the information in location privacy protection. To evaluate and verify the utility of our method, we have integrated two existing datasets to create a rich information in term of user number. From the results of the evaluation using this dataset, we confirmed that our method can predict location privacy preferences accurately and that it provides a suitable method to define the location privacy preference

Parent training for preschool ADHD: a randomized controlled trial of specialized and generic programs

BackgroundThe New Forest Parenting Package' (NFPP), an 8-week home-based intervention for parents of preschoolers with attention-deficit/hyperactivity disorder (ADHD), fosters constructive parenting to target ADHD-related dysfunctions in attention and impulse control. Although NFPP has improved parent and laboratory measures of ADHD in community samples of children with ADHD-like problems, its efficacy in a clinical sample, and relative to an active treatment comparator, is unknown. The aims are to evaluate the short- and long-term efficacy and generalization effects of NFPP compared to an established clinic-based parenting intervention for treating noncompliant behavior [Helping the Noncompliant Child' (HNC)] in young children with ADHD. MethodsA randomized controlled trial with three parallel arms was the design for this study. A total of 164 3-4-year-olds, 73.8% male, meeting DSM-IV ADHD diagnostic criteria were randomized to NFPP (N=67), HNC (N=63), or wait-list control (WL, N=34). All participants were assessed at post-treatment. NFPP and HNC participants were assessed at follow-up in the next school year. Primary outcomes were ADHD ratings by teachers blind to and uninvolved in treatment, and by parents. Secondary ADHD outcomes included clinician assessments, and laboratory measures of on-task behavior and delay of gratification. Other outcomes included parent and teacher ratings of oppositional behavior, and parenting measures. (Trial name: Home-Based Parent Training in ADHD Preschoolers; Registry: ClinicalTrials.gov Identifier: NCT01320098; URL: ). ResultsIn both treatment groups, children's ADHD and ODD behaviors, as well as aspects of parenting, were rated improved by parents at the end of treatment compared to controls. Most of these gains in the children's behavior and in some parenting practices were sustained at follow-up. However, these parent-reported improvements were not corroborated by teacher ratings or objective observations. NFPP was not significantly better, and on a few outcomes significantly less effective, than HNC. ConclusionsThe results do not support the claim that NFPP addresses putative dysfunctions underlying ADHD, bringing about generalized change in ADHD, and its underpinning self-regulatory processes. The findings support documented difficulties in achieving generalization across nontargeted settings, and the importance of using blinded measures to provide meaningful assessments of treatment effects

China's building stock estimation and energy intensity analysis

Reliable and objective data regarding building stock is essential for predicting and analyzing energy demand and carbon emission. However, China's building stock data is lacking. This study proposes a set of China building floor space estimation method (CBFSM) based on the improved building stock turnover model. Then it measures China's building stocks by vintage and type from 2000 to 2015, as well as building energy intensity (national level and provincial level) and energy-efficient buildings. Results showed that total building stocks increased significantly, rising from 35.2 billion m2 in 2000 to 63.6 billion m2 in 2015, with the average growth rate 4.0%. The deviations were well below 10% by comparing with China Population Census, which validated the reliability of CBFSM and the results. As for energy intensity, urban dwellings and rural dwellings showed relatively stable and increasing trend respectively. The commercial building energy intensity saw a downward trend during “12th Five Year Plan” period. This indicated the effectiveness of building energy efficiency work for commercial buildings since 2005.38.6 billion m2 residential dwellings and 5.7 billion m2 commercial buildings still need to be retrofitted in future. CBFSM can overcome shortages in previous studies. It can also provide Chinese government with technical support and data evidence to promote the building energy efficiency work

Two monotonic functions involving gamma function and volume of unit ball

In present paper, we prove the monotonicity of two functions involving the gamma function $\Gamma(x)$ and relating to the $n$-dimensional volume of the unit ball $\mathbb{B}^n$ in $\mathbb{R}^n$.Comment: 7 page

Disappearance of integer quantum Hall effect

The disappearance of integer quantum Hall effect (IQHE) at strong disorder and weak magnetic field is studied in a lattice model. A generic sequence by which the IQHE plateaus disappear is revealed: higher IQHE plateaus always vanish earlier than lower ones, and extended levels between those plateaus do not float up in energy but keep merging together after the destruction of plateaus. All of these features remain to be true in the weak-field limit as shown by the thermodynamic-localization-length calculation. Topological characterization in terms of Chern integers provides a simple physical explanation and suggests a qualitative difference between the lattice and continuum models.Comment: Revtex, four pages; four figures, postscript fil