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Author:   C.A. Weatherford ,  H.W. Jones
Publisher:   Springer
Imprint:   Kluwer Academic Publishers
Edition:   1982 ed.
Weight:   0.550kg
ISBN:  

9789027714886

ISBN 10:   9027714886
Pages:   208
Publication Date:   31 October 1982
Audience:   College/higher education ,  Professional and scholarly ,  Postgraduate, Research & Scholarly ,  Professional & Vocational
Format:   Hardback
Publisher's Status:   Active
Availability:   Awaiting stock  
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Table of Contents

Experience Using Spherical Harmonic Expansions To Evaluate Molecular Integrals.- On The Evaluation of ETO Molecular Integrals By Series Expansions Using Complete Function Sets.- Scaled Hydrogenic Sturmians As ETOs.- Multi-Center Integrals From The General Expansion Formula Developed Previously For Slater Orbitals.- The Philosophy And Strategy For STO Integral Evaluation Using The C-Matrix Algebraic Single-Center Expansion Method.- Expansion Of A Function About A Displaced Centre.- Recent Progress On Three-Center Integrals Using Fourier-Transform-Based Analytical Formulas.- Translation Of Angular Momentum Eigenfunctions Using Numerical Spherical Bessel Transforms.- Spherical-Harmonic Expansion Techniques For Multicenter Integrals Over STO’S. A Re-Examination For Vector Processing Computers.- One-Center Electron Repulsion Integrals For Slater and Gaussian Orbitals.- A Numerical Study On The Choice Of Basis Sets Used For Translating ETOs In Multi-Center LCAO Calculations.- Auxiliary Functions For STO Molecular Integrals: Si, Ci and Ei.- On Auxiliary Functions In Molecular Integrals.- Distribution Of Matrix Elements For Wavefunction Computations Of Large Molecular Systems.- Use Of The Neumann Expansion In Evaluation of Multicenter Electron-Repulsion Integrals For Slater-Type Orbitals.- Dispersion Energy From Atomic Form Factors.- Author Index.

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