Numerical Chemistry
Author: PRATESH BAHADUR
Publisher:
Published: 1994
Total Pages: 864
ISBN-13: 9788190393904
DOWNLOAD EBOOK →Author: PRATESH BAHADUR
Publisher:
Published: 1994
Total Pages: 864
ISBN-13: 9788190393904
DOWNLOAD EBOOK →Author: Anu Sharma
Publisher: S. Chand Publishing
Published: 2014
Total Pages: 999
ISBN-13: 8121930596
DOWNLOAD EBOOK →An 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 EBOOK →Author: Prerna Bansal
Publisher: Walter de Gruyter GmbH & Co KG
Published: 2020-09-07
Total Pages: 196
ISBN-13: 3110695324
DOWNLOAD EBOOK →This book aims to make students thoroughly aware of various important mathematical concepts and numerical methods frequently used in physical chemistry and analytical chemistry. The numerical methods discussed are used in physical chemistry problems, including finding roots of equation, numerical integration, differentiation, differential equations and numerical curve fitting methods.
Author: National Research Council (U.S.)
Publisher:
Published: 1928
Total Pages: 514
ISBN-13:
DOWNLOAD EBOOK →Author: Kevin D. Dorfman
Publisher: Cambridge University Press
Published: 2017-01-11
Total Pages: 513
ISBN-13: 1107135117
DOWNLOAD EBOOK →This undergraduate textbook integrates the teaching of numerical methods and programming with problems from core chemical engineering subjects.
Author: Venera Khoromskaia
Publisher: Walter de Gruyter GmbH & Co KG
Published: 2018-06-11
Total Pages: 297
ISBN-13: 3110391376
DOWNLOAD EBOOK →The 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: Prerna Bansal
Publisher: Walter de Gruyter GmbH & Co KG
Published: 2020-09-07
Total Pages: 227
ISBN-13: 3110695480
DOWNLOAD EBOOK →Numerical 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:
Publisher: Motilal Banarsidass Publishe
Published:
Total Pages: 488
ISBN-13: 9788120833166
DOWNLOAD EBOOK →