theoretical spectrum
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Author(s):  
А.В. Белоновский ◽  
К.М. Морозов ◽  
Л.В. Котова

We considered the interaction of an exciton mode with photonic eigenmodes in a GaN structure with several μm in size. A technique for obtaining spectra from such structures is demonstrated. The most optimal shape and dimensions of the resonator were selected for effective interaction of light and matter. The theoretical spectrum for the selected resonator is obtained and analyzed.


Author(s):  
Maria Belen Ruiz

Spin projected wave functions are known as generalizations of the Hartree-Fock wave function. Among them, the Half-Projected Hartree-Fock (HPHF) model represents a good compromise between the restricted (RHF) and unrestricted (UHF) Hartree-Fock methods. The HPHF wave function is a nearly pure wave function of spin and recovers a small part of the spin correlation energy. This paper reviews the history of the HPHF theory, not only from the conceptual point of view but also providing a compilation of the publications of this method over the years until now. In addition, the extension of the HPHF method to the calculation of non-orthogonal excited states to the ground state will be treated. The variational collapse during the calculation of singlet excited states with the same symmetry as the ground state is avoided by orthogonalizing the excited orbital to the corresponding occupied orbital. As an example, the potential energy surface of the S0 ground and 1S1(n, π∗) first excited state of the formic acid HCOOH are calculated. Formic acid exhibits complex energy surfaces with respect two large amplitude motions, the torsional rotation of the O-H group and the waving out-of-plane angle of the H atom. In the excited state, the molecule adopts a pyramidal structure. The obtained energy results are fitted to curves that can be used for the calculation of the theoretical spectrum.


PLoS ONE ◽  
2021 ◽  
Vol 16 (10) ◽  
pp. e0259349
Author(s):  
Muhammad Usman Tariq ◽  
Fahad Saeed

Historically, the database search algorithms have been the de facto standard for inferring peptides from mass spectrometry (MS) data. Database search algorithms deduce peptides by transforming theoretical peptides into theoretical spectra and matching them to the experimental spectra. Heuristic similarity-scoring functions are used to match an experimental spectrum to a theoretical spectrum. However, the heuristic nature of the scoring functions and the simple transformation of the peptides into theoretical spectra, along with noisy mass spectra for the less abundant peptides, can introduce a cascade of inaccuracies. In this paper, we design and implement a Deep Cross-Modal Similarity Network called SpeCollate, which overcomes these inaccuracies by learning the similarity function between experimental spectra and peptides directly from the labeled MS data. SpeCollate transforms spectra and peptides into a shared Euclidean subspace by learning fixed size embeddings for both. Our proposed deep-learning network trains on sextuplets of positive and negative examples coupled with our custom-designed SNAP-loss function. Online hardest negative mining is used to select the appropriate negative examples for optimal training performance. We use 4.8 million sextuplets obtained from the NIST and MassIVE peptide libraries to train the network and demonstrate that for closed search, SpeCollate is able to perform better than Crux and MSFragger in terms of the number of peptide-spectrum matches (PSMs) and unique peptides identified under 1% FDR for real-world data. SpeCollate also identifies a large number of peptides not reported by either Crux or MSFragger. To the best of our knowledge, our proposed SpeCollate is the first deep-learning network that can determine the cross-modal similarity between peptides and mass-spectra for MS-based proteomics. We believe SpeCollate is significant progress towards developing machine-learning solutions for MS-based omics data analysis. SpeCollate is available at https://deepspecs.github.io/.


2021 ◽  
Author(s):  
◽  
Anthony Manere

<p><b>The current study is attempting to answer the research question “the impact my previous ABA training may have on my current practice as a must therapy student?”. The goal of this study is to gain insight on my own clinical practice in order to develop a more well-rounded therapeutic approach. I used a secondary analysis of session notes from my student music therapy placement at an intermediate school. A deductive content analysis was used to explore data within separate categories underpinning either humanistic or behavioural approaches. The data collected into these categories was qualitatively considered to create themes and to support how behavioural methods manifest in my current practice. The study assumes that a behavioural way of thinking is already present in my practice and seeks to investigate how has also manifested in my professional identity. The study acknowledges that although the field of music therapy can take on a variety of different therapeutic approaches, the training that I have received at Victoria University of Wellington has a largely humanist emphasis.</b></p> <p>Overall, the study found that the use of either behavioural or humanistic approaches are situationally dependent on the client, activity, or therapeutic goal. In both goal setting, and musical choice, there was a spectrum of attitudes falling between the theories while other methods such as therapeutic relationship or prompting held a unique perspective falling into one or the other. I feel that the use of dual methodologies in my practice compliment the limitations and advantages that each approach may present. As these approaches both fall on opposite ends of the “theoretical spectrum”, they pair to create a middleground between a holistic, client-centered practice, and a tightly structured, goal-oriented practice. </p> <p>KEYWORDS:Music therapy, behaviourism, humanism, principles, content analysis, secondary analysis, deductive, qualitative</p>


2021 ◽  
Author(s):  
◽  
Anthony Manere

<p><b>The current study is attempting to answer the research question “the impact my previous ABA training may have on my current practice as a must therapy student?”. The goal of this study is to gain insight on my own clinical practice in order to develop a more well-rounded therapeutic approach. I used a secondary analysis of session notes from my student music therapy placement at an intermediate school. A deductive content analysis was used to explore data within separate categories underpinning either humanistic or behavioural approaches. The data collected into these categories was qualitatively considered to create themes and to support how behavioural methods manifest in my current practice. The study assumes that a behavioural way of thinking is already present in my practice and seeks to investigate how has also manifested in my professional identity. The study acknowledges that although the field of music therapy can take on a variety of different therapeutic approaches, the training that I have received at Victoria University of Wellington has a largely humanist emphasis.</b></p> <p>Overall, the study found that the use of either behavioural or humanistic approaches are situationally dependent on the client, activity, or therapeutic goal. In both goal setting, and musical choice, there was a spectrum of attitudes falling between the theories while other methods such as therapeutic relationship or prompting held a unique perspective falling into one or the other. I feel that the use of dual methodologies in my practice compliment the limitations and advantages that each approach may present. As these approaches both fall on opposite ends of the “theoretical spectrum”, they pair to create a middleground between a holistic, client-centered practice, and a tightly structured, goal-oriented practice. </p> <p>KEYWORDS:Music therapy, behaviourism, humanism, principles, content analysis, secondary analysis, deductive, qualitative</p>


Author(s):  
Peiyan Wu ◽  
Wenbin Chen ◽  
Hualin Wu ◽  
Ke Qi ◽  
Miao Liu

2020 ◽  
Vol 500 (1) ◽  
pp. 481-492
Author(s):  
Indrani Banerjee ◽  
Bhaswati Mandal ◽  
Soumitra SenGupta

ABSTRACT String inspired models can serve as potential candidates to replace general relativity (GR) in the high-energy/high-curvature regime where quantum gravity is expected to play a vital role. Such models not only subsume the ultraviolet nature of gravity but also exhibit promising prospects in resolving issues like dark matter and dark energy, which cannot be adequately addressed within the framework of GR. The Einstein–Maxwell dilaton–axion (EMDA) theory that is central to this work is one such string inspired model arising in the low energy effective action of the heterotic string theory with interesting implications in inflationary cosmology and in the late-time acceleration of the Universe. It is therefore important to survey the role of such a theory in explaining astrophysical observations, e.g. the continuum spectrum of black holes which is expected to hold a wealth of information regarding the background metric. The Kerr–Sen space–time corresponds to the exact, stationary, and axisymmetric black hole solution in EMDA gravity, possessing dilatonic charge and angular momentum originating from the axionic field. In this work, we compute the theoretical spectrum from the accretion disc around quasars in the Kerr–Sen background assuming the thin accretion disc model due to Novikov and Thorne. This is then used to evaluate the theoretical estimates of optical luminosity for a sample of eighty Palomar Green quasars which are subsequently compared with the available observations. Our results based on χ2 analysis indicate that the dilaton parameter r2 ∼ 0.2 is favoured by optical observations of quasars which is further corroborated by other error estimators e.g. the Nash–Sutcliffe efficiency, the index of agreement and their modified versions. We further report that strong dilaton charges (r2 &gt; 1.6) are disfavoured by quasar optical data and the spins associated with the quasars are also estimated.


Kapal ◽  
2020 ◽  
Vol 17 (3) ◽  
pp. 114-122
Author(s):  
Nurman Firdaus ◽  
Baharuddin Ali ◽  
Mochammad Nasir ◽  
M Muryadin

The wave height parameter in ocean waves is one of the important information for a marine structure design. The present paper investigates the results of wave heights distribution from laboratory-generated for single sea state. Data of the random wave time series collected at the ocean basin are analyzed using the wave spectrum and compared with the theoretical spectrum in this study. The random wave data is varied with four sea states consisting of sea states 3, 4, 5 and 6 obtained from laboratory measurements. The parameter conditions of generated sea waves are represented by a value of significant wave height and wave peak period in the range of sea states. The individual wave heights data in each sea state are presented in the form of exceedance probability distribution and the predictions using a linear model. This study aims to estimate the wave heights distribution using the Rayleigh and Weibull distribution model. Furthermore, the accuracy of the wave heights distribution data's prediction results in each sea state has been compared and examined for both models. The applied linear models indicate similar and reasonable estimations on the observed data trends.


2020 ◽  
Vol 860 ◽  
pp. 165-170
Author(s):  
Budi Adiperdana ◽  
Risdiana

A modified dipole field equation proposed to reconstruct the μSR spectrum theoretically. Gaussian interaction weight added in dipole field calculation to investigate the effective interaction range between muon and its surrounding spin. The width of Gaussian interaction weight traced until the theoretical spectrum fit the data. The theoretical spectrum limited only to minima within the unit cell. By using the interaction weight the main peak spectrum can be reproduced without having a contradiction with the magnetic moment measured from neutron. Effective interaction between muon and surrounding spin estimated to be around which is relatively small.


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