Results 41 to 50 of about 1,836,247 (186)
Accurate GW frontier orbital energies of 134 kilo molecules
Scientific Data, 2023 HOMO and LUMO energies are critical molecular properties that typically require high accuracy computations for practical applicability. Until now, a comprehensive dataset containing sufficiently accurate HOMO and LUMO energies has been unavailable.
Artem Fediai +4 more
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Frontiers in Integrative Neuroscience, 2012 A recent line of work has found remarkable success in relating perceptual decision-making and the spiking activity in the macaque lateral intraparietal area (LIP).
Alexander eHuk, Miriam L.R. Meister
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Accurate Computations with Generalized Pascal k-Eliminated Functional Matrices
MathematicsThis paper presents an accurate method to obtain the bidiagonal decomposition of some generalized Pascal matrices, including Pascal k-eliminated functional matrices and Pascal symmetric functional matrices.
Jorge Delgado +2 more
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PaCAL: A Python Package for Arithmetic Computations with Random Variables
Journal of Statistical Software, 2014 In this paper we present PaCAL, a Python package for arithmetical computations on random variables. The package is capable of performing the four arithmetic operations: addition, subtraction, multiplication and division, as well as computing many ...
Marcin Korze?, Szymon Jaroszewicz
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Discrete Dynamics in Nature and Society, 2016 We investigate the accurate computations for the Greeks using the numerical solutions of the Black-Scholes partial differential equation. In particular, we study the behaviors of the Greeks close to the maturity time and in the neighborhood around the ...
Darae Jeong, Minhyun Yoo, Junseok Kim
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PRX Quantum, 2022 Although quantum computation is regarded as a promising numerical method for computational quantum chemistry, current applications of quantum-chemistry calculations on quantum computers are limited to small molecules.
Cheng-Lin Hong +10 more
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Accurate Computation of Covariance
Teaching Statistics, 1991 SummaryUsing as a starting point pre‐existing remarks on the discrepancies arising in calculations of statistical quantities from certain formulae because of errors in the means, or the choice of the appropriate formula, the author proposes a scheme by which teachers and students can overcome these difficulties and achieve error‐free results.
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Accurate and Interpretable Computational Modeling of Chemical Mutagenicity [PDF]
Journal of Chemical Information and Modeling, 2008 We describe a method for modeling chemical mutagenicity in terms of simple rules based on molecular features. A classification model was built using a rule-based ensemble method called RuleFit, developed by Friedman and Popescu. We show how performance compares favorably against literature methods.
James J. Langham, Ajay N. Jain
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A new method for solving ill-conditioned linear systems [PDF]
Opuscula Mathematica, 2013 An accurate numerical method is established for matrix inversion. It is shown theoretically that the scheme possesses the high order of convergence of seven. Subsequently, the method is taken into account for solving linear systems of equations.
Fazlollah Soleymani
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Computing smooth surface contours with accurate topology [PDF]
ACM Transactions on Graphics, 2014 This article introduces a method for accurately computing the visible contours of a smooth 3D surface for stylization. This is a surprisingly difficult problem, and previous methods are prone to topological errors, such as gaps in the outline.
Pierre Bénard +2 more
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