Cluster decomposition of full configuration interaction wave functions: a tool for chemical interpretation of systems with strong correlation

Approximate full configuration interaction (FCI) calculations have recently become tractable for systems of unforeseen size thanks to stochastic and adaptive approximations to the exponentially scaling FCI problem. The result of an FCI calculation is a weighted set of electronic configurations, which can also be expressed in terms of excitations from a reference configuration. The excitation amplitudes contain information on the complexity of the electronic wave function, but this information is contaminated by contributions from disconnected excitations, i.e. those excitations that are just products of independent lower-level excitations. The unwanted contributions can be removed via a cluster decomposition procedure, making it possible to examine the importance of connected excitations in complicated multireference molecules which are outside the reach of conventional algorithms. We present an implementation of the cluster decomposition analysis and apply it to both true FCI wave functions, as well as wave functions generated from the adaptive sampling CI (ASCI) algorithm. The cluster decomposition is useful for interpreting calculations in chemical studies, as a diagnostic for the convergence of various excitation manifolds, as well as as a guidepost for polynomially scaling electronic structure models. Applications are presented for (i) the double dissociation of water, (ii) the carbon dimer, (iii) the {\pi} space of polyacenes, as well as (iv) the chromium dimer. While the cluster amplitudes exhibit rapid decay with increasing rank for the first three systems, even connected octuple excitations still appear important in Cr$_2$, suggesting that spin-restricted single-reference coupled-cluster approaches may not be tractable for some problems in transition metal chemistry.Comment: 15 pages, 5 figure

Sikap terhadap M-banking dan Dampaknya terhadap Behavioral Intention To Adopt M-banking (Studi pada PT Bank Syariah Mandiri Semarang)

Tujuan penelitian ini adalah untuk mengetahui pengaruh Perceived Usefulness, Perceived Ease of Use, Perceived Risk, dan Sikap terhadap M-banking terhadap Behavioral Intention pada PT Bank Syariah Mandiri Semarang. Sample dalam penelitian ini sebanyak 100 orang, jenis penelitian ini adalah convenince sampling, dengan menggunakanProgram SPSS. Hasil penelitian ini menunjukkan bahwa semua hipotesa dalam penelitian ini dapat diterima. Hasil penelitian ini menunjukkan bahwa Perceived Usefulness meimiliki pengaruh positif terhadap Sikap terhadap M-banking. Perceived Ease of Use memiliki pengaruh positif terhadap Sikap terhadap M-banking. Perceived Risk memiliki pengaruh positif terhadap Sikap terhadap M-banking. Perceived Usefulness memiliki pengaruh positif terhadap Behavioral Intention. Perceived Ease of Use memiliki pengaruh positif terhadap Behavioral Intention. Perceived Risk memiliki pengaruh positif terhadap Behavioral Intention. Sikap terhadap M-banking memiliki pengaruh positif terhadap Behavioral Intention. Kata kunci : Perceived Usefulness, Perceived Ease of Use, Perceived Risk, Sikap terhadap  M-banking dan Behavioral Intention &nbsp

Introduction : The Arctic as an Archive

Author's accepted version (postprint). This is an Accepted Manuscript of a book chapter published by transcript Verlag, Bielefeld, in 2019. Available online: https://www.transcript-verlag.de/978-3-8376-4656-6/arctic-archives/This is an Accepted Manuscript of a book chapter published by transcript Verlag, Bielefeld, in 2019.Available online: https://www.transcript-verlag.de/978-3-8376-4656-6/arctic-archives/This introductory articles explains the key concepts and issues for the volume. The Arctic is an important and highly endangered archive of knowledge about natural as well as human history of the Anthropocene. Focusing on the Arctic as an archive means not only to investigate it as a place of human history and memory―of Arctic exploring, conquering, and colonizing―but to take into account also the specific environmental conditions of the circumpolar region: ice and permafrost. These have allowed a huge natural archive to emerge, offering rich sources for natural scientists and historians alike. Notably the articles reviews the debate on the notion of (“natural”) archive, the concept of entropoy and the cultural semantics and historicity of the meaning of concepts like “warm,” “cold,” “freezing,” and “melting. What kind of memory supports do. Media in nature and culture, like snow and ice, earth and stone, but also film, photography and text can all be seen as memory supports. How do they differ in what they remember and what they forget? What kind of events are preserved in ice, for example compared to earth, and what is discarded, and what information is provided when entropy rises?acceptedVersio

Strategi Pengembangan Musik Keroncong di Departemen Pendidikan Musik Upi pada Periode Tahun 1996-2015

Keroncong merupakan musik asli Indonesia , namun apresiasi musik keroncong di masyarakat masih kurang. Perlu adanya strategi agar musik keroncong tetap lestari dan terus berkembang di masyarakat. Berbanding terbalik dengan kondisi apresiasi musik keroncong di masyarakat, musik keroncong di Departemen Pendidikan Musik mampu bertahan dan berkembang sekitar 19 tahun. Karena itu peneliti mengambil judul “Strategi Pengembangan Musik Keroncong d Departemen Pendidikan Musik UPI Pada Periode Tahun 1996-2015”. Penelitian ini bertujuan untuk mengetahui strategi pengembangan musik keroncong di Departemen Pendidikan Musik. Ketika strateginya sudah diketahui peneliti berharap strategi ini dapat diaplikasikan oleh komunitas keroncong di berbagai daerah maupun untuk kesenian tradisional lainnya yang terancam eksistensinya. Metode yang digunakan adalah kualitatif deskriptif . Berdasarkan hasil temuan penelitian strategi pengembangan musik keroncong di Departemen Pendidikan Musik UPI dilakukan dengan berbagai cara oleh komunitas keroncong di dalamnya yang terdiri dari mahasiswa, dosen, dan Institusi. Seiring dengan berkembangnya musik keroncong di Departemen Pendidikan Musik dosen dan mahasiswa mulai banyak yang melakukan kajian tentang musik keroncong. Karena banyaknya kajian tentang keroncongnya sumber informasi tentang musik keroncong pun semakin banyak di Deprtemen Pendidikan Musik. Mahasiswa pun melakukan pengembangan keroncong salah satunya dari segi musikal agar keroncong dapat diterima di masyarakat umum. Komunitas keroncong Departemen Pendidikan Musik pun berkerjasama dengan media dan juga seniman keroncong. Menjalin kerjasama dengan pihak media membuat grup keroncong mahasiswa dapat diapresiasi oleh masyarakat luas dan membuka jaringan dengan seniman keroncong. Ketika komunitas keroncong Departemen Pendidikan Musik bekerjasama dengan seniman terbuka lahan belajar agar mahasiswa bisa bermain keroncong dengan baik. Sejak saat itu kegiatan keroncong dan grup keroncong muda mulai bermunculan

Correlates of children’s physical activity during physical education classes

Aim: The aim of this study was to investigate the influence of correlates on physical activity (PA) during physical education (PE). Method: One hundred and ninety children (11.2 ± 0.8 y, 1.5 ± 0.1 m, 37.7 ± 8.3 kg) of 12 classes participated. Children were asked to wear an accelerometer for seven days. Teachers filled in a questionnaire to collect data about correlates of PA during PE (i.e. sex, weight, age of children, daily PA of the children, class size, PA behavior and formation of the teacher and size of gym). Correlates for moderate-to-vigorous PA (MVPA) during PE were determined using multifactor linear regression analysis. Results Fifty-three percent of the variability of MVPA during PE was explained by the investigated correlates. Apart from individual correlates (sex, weight, age), PE taught in small classes and large gyms by a PE specialist and a high overall PA of the child had independent positive effects on MVPA during PE. Conclusion: The results underline the importance of small PE classes taught by specialized PE teachers in large gyms and the increase of overall PA of children for effective future intervention studies and for political discussion focusing on increasing PA during PE

Rekomendasi Pengadaan Obat dan Alat Kesehatan dengan Fuzzy Database (Studi Kasus: Instalasi Farmasi Klinik Utama Cideng Medical Center)

Kemudahan dalan melakukan pencarian terhadap persediaan obat dan alat kesehatan untuk pengadaan yang sesuai standar persyaratan mutu pada Instalasi Farmasi merupaka salah satu faktor kunci dalam menunjang pelayanan apa lagi dalam pencarian tersebut dapat direpresentasikan kedalam bahasa sehari-hari semisal: mahal, hampir habis, ataupun banyak oleh karena itu perlu adanya teknik informasi untuk mewujudkannya karena hingga saat ini belum ada suatu penerapan metode untuk permasalahn tersebut terutama di Instalasi Klinik Utama Cideng Medical Center. Metode Fuzzy Database yaitu, suatu sistem basis data yang menggunakan teori himpunan fuzzy ke dalam Databases untuk menghasilkan informasi, dengan demikian pencarian persediaan obat dan alat kesehatan di Database dapat direpresentasikan kedalam bahasa sehari-hari.Maka Fuzzy Database sangat sesuai untuk di terapkan dalam Database pencarian obat dan alkes sebagai rekomendasi pengadaan di Insatalasi Farmasi Klinik Utama Cideng Medical Center, karena pencarian obat dan alat kesehatan itu begitu kompleks, akan sangat mudah apabila bisa dikomunikasikan dalam keseharian kita

Searching for pitch invariant representations in auditory cortex [oral presentation]

Pitch constancy relates to perceiving the same pitch from tones with differing spectral shapes and is one key criteria for identifying a pitch selective neural representation in auditory cortex. Here we used an event-related potential (ERP) adaptation study and a behavioural task (target same/different) to investigate whether pitch coding is invariant to changes in timbre. Adaptation is observed as a decrease in N100-P200 when the same stimulus is repeated because overlapping neuronal populations encode the stimulus. Reduced adaptation indicates that new neuronal populations are recruited to encode a change in an acoustic feature of interest (i.e. pitch, timbre or both). If neurons are selective to pitch (invariant to timbre), reduced adaptation should occur for pitch changes only. If selective to both (non-invariant to timbre), reduced adaptation should occur for pitch and timbre changes. Similarly, stimulus discrimination during the behavioural task should not require any additional processing resources if neurons are selective to pitch only, and hence reaction times and accuracy should be equivalent across conditions. If neurons are selective to both pitch and timbre, longer reaction times and poorer accuracy should be observed for timbre changes. We found reduced adaptation in the N100-P200 and increased reaction times and poorer accuracy for timbre changes. This suggests that neurons in auditory cortex are selective to both pitch and timbre, i.e. pitch coding is non-invariant to timbre. This supports recent evidence suggesting interdependence between pitch

Examing the evidence for a pitch centre in human auditory cortex: a multi method approach

This PhD used a combination of psychophysical, functional magnetic resonance imaging (fMRI) and electroencephalography (EEG) methods to evaluate the evidence for a pitch centre within auditory cortex according to the four pitch criteria: 1) pitch selectivity, 2) pitch constancy, 3) covariation with pitch salience, and 4) accounting for confounding factors, that were described in an article by Hall and Plack (2009). An fMRI study re-examined pitch criteria 1, 3 and 4 using stimuli and a subtractive study design informed by Penagos et al. (2004), but extended this work by addressing some of their limitations. Results indicated that the representation of pitch compared to noise is widely distributed across auditory cortex, while the evidence for an effect of pitch salience was questionable given that the weak pitch salience condition was not significantly different from matched noise at a group level. These findings raise concerns regarding fMRI‟s sensitivity to pitch salience effects in the context of high individual variability. An ERP „adaptation‟ study evaluated pitch criteria 1, 2 and 4 using pitch and timbre stimulus parameters that had been previously matched for discriminability, and sequences either varied in pitch, timbre or both across listeners. Findings from both sensor and source-based analyses suggested that pitch responses may be influenced by timbre (i.e., non-invariant); although further research is required. Thus, evidence failed to support the notion of pitch constancy at the level of the auditory cortex. Further studies using psychophysical listening paradigms continued this work, and again seemed to confirm a lack of evidence for pitch constancy. Reaction times and accuracy data demonstrated that timbre changes (non-target stimulus) interfered with listener‟s ability to discriminate pitch (target stimulus), and vice versa. Overall, these convergent results suggest that there is no modular representation of pitch (pitch centre), but rather pitch processing sites are distributed throughout multiple areas of primary and non-primary auditory cortex and are seemingly non-invariant to other stimulus parameters related to its perception (e.g., timbre). Under this assumption, the spatio-temporal model of pitch perception may best describe the neural mechanism underpinning pitch perception. Several recommendations are made to address challenges to interpretation identified throughout this PhD, which are likely to guide further research in this area