Numerical Chemistry
Author: PRATESH BAHADUR
Publisher:
Published: 1994
Total Pages: 864
ISBN-13: 9788190393904
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Author: PRATESH BAHADUR
Publisher:
Published: 1994
Total Pages: 864
ISBN-13: 9788190393904
DOWNLOAD EBOOKAuthor:
Publisher: Krishna Prakashan Media
Published:
Total Pages: 776
ISBN-13:
DOWNLOAD EBOOKAuthor: Anu Sharma
Publisher: S. Chand Publishing
Published: 2009
Total Pages: 1007
ISBN-13: 8121930596
DOWNLOAD EBOOKAn ideal book for the students of XI and XII (CBSE, ISC and the State Boards who are using Core Curriculum) and also useful for the students preparing for various Engineering & Medical Entrance Examinations.
Author: S. K. Kundra
Publisher: Golden Bells
Published: 2004
Total Pages: 1022
ISBN-13: 9788179680896
DOWNLOAD EBOOKAuthor: Prerna Bansal
Publisher: Walter de Gruyter GmbH & Co KG
Published: 2024-08-19
Total Pages: 254
ISBN-13: 3111334503
DOWNLOAD EBOOKNumerical methods are the mathematical procedures that approximate the solution of complex mathematical problems into much simpler form and which find a wide variety of use while solving complex Physical Chemistry problems. This book aims to aide in understanding of such numerical methods including solving complex differential equations and numerical differentiation & integration. Moreover it also explains various statistical tests used in Analytical Chemistry for data analysis. The author has tried to include as many example from Chemistry problems for a better understanding of the methods.
Author: Kevin D. Dorfman
Publisher: Cambridge University Press
Published: 2017-01-11
Total Pages: 513
ISBN-13: 1107135117
DOWNLOAD EBOOKThis undergraduate textbook integrates the teaching of numerical methods and programming with problems from core chemical engineering subjects.
Author: National Research Council (U.S.)
Publisher: National Academies
Published: 1928
Total Pages: 480
ISBN-13:
DOWNLOAD EBOOKAuthor: Venera Khoromskaia
Publisher: Walter de Gruyter GmbH & Co KG
Published: 2018-06-11
Total Pages: 343
ISBN-13: 3110391376
DOWNLOAD EBOOKThe conventional numerical methods when applied to multidimensional problems suffer from the so-called "curse of dimensionality", that cannot be eliminated by using parallel architectures and high performance computing. The novel tensor numerical methods are based on a "smart" rank-structured tensor representation of the multivariate functions and operators discretized on Cartesian grids thus reducing solution of the multidimensional integral-differential equations to 1D calculations. We explain basic tensor formats and algorithms and show how the orthogonal Tucker tensor decomposition originating from chemometrics made a revolution in numerical analysis, relying on rigorous results from approximation theory. Benefits of tensor approach are demonstrated in ab-initio electronic structure calculations. Computation of the 3D convolution integrals for functions with multiple singularities is replaced by a sequence of 1D operations, thus enabling accurate MATLAB calculations on a laptop using 3D uniform tensor grids of the size up to 1015. Fast tensor-based Hartree-Fock solver, incorporating the grid-based low-rank factorization of the two-electron integrals, serves as a prerequisite for economical calculation of the excitation energies of molecules. Tensor approach suggests efficient grid-based numerical treatment of the long-range electrostatic potentials on large 3D finite lattices with defects.The novel range-separated tensor format applies to interaction potentials of multi-particle systems of general type opening the new prospects for tensor methods in scientific computing. This research monograph presenting the modern tensor techniques applied to problems in quantum chemistry may be interesting for a wide audience of students and scientists working in computational chemistry, material science and scientific computing.
Author: National Research Council (U.S.)
Publisher:
Published: 1928
Total Pages: 514
ISBN-13:
DOWNLOAD EBOOKAuthor: Guy P. Brasseur
Publisher: Cambridge University Press
Published: 2017-06-19
Total Pages: 631
ISBN-13: 1108210953
DOWNLOAD EBOOKMathematical modeling of atmospheric composition is a formidable scientific and computational challenge. This comprehensive presentation of the modeling methods used in atmospheric chemistry focuses on both theory and practice, from the fundamental principles behind models, through to their applications in interpreting observations. An encyclopaedic coverage of methods used in atmospheric modeling, including their advantages and disadvantages, makes this a one-stop resource with a large scope. Particular emphasis is given to the mathematical formulation of chemical, radiative, and aerosol processes; advection and turbulent transport; emission and deposition processes; as well as major chapters on model evaluation and inverse modeling. The modeling of atmospheric chemistry is an intrinsically interdisciplinary endeavour, bringing together meteorology, radiative transfer, physical chemistry and biogeochemistry, making the book of value to a broad readership. Introductory chapters and a review of the relevant mathematics make this book instantly accessible to graduate students and researchers in the atmospheric sciences.