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ETO multicenter molecular integrals : proceedings of the first international conference held at Florida A & M University, Tallahassee, Florida, U.S.A., August 3-6, 1981

Author: Charles A Weatherford; Herbert W Jones
Publisher: Dordrecht, Holland ; Boston : D. Reidel, ©1982.
Edition/Format:   Print book : Conference publication : EnglishView all editions and formats
Database:WorldCat
Summary:

Proceedings of the 1st International Conference, held at Florida A&M University, Tallahassee, Florida, USA, August 3-6, 1981

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Genre/Form: Conference papers and proceedings
Congresses
Additional Physical Format: Online version:
ETO multicenter molecular integrals.
Dordrecht, Holland ; Boston : D. Reidel, ©1982
(OCoLC)706862136
Material Type: Conference publication
Document Type: Book
All Authors / Contributors: Charles A Weatherford; Herbert W Jones
ISBN: 9027714886 9789027714886
OCLC Number: 8827379
Description: xvi, 186 pages, [1] leaf of plates : illustrations ; 25 cm
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.
Other Titles: E.T.O. multicenter molecular integrals
Molecular integrals
Responsibility: edited by Charles A. Weatherford and Herbert W. Jones.

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