ETO multicenter molecular integrals: proceedings of the first international conference held at Florida A&M Univ., Tallahassee, Florida, USA, Aug. 3 - 6, 1981
Gespeichert in:
| Weitere Verfasser: | |
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| Format: | Tagungsbericht Buch |
| Sprache: | English |
| Veröffentlicht: |
Dordrecht [u.a.]
Reidel
1982
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| Schlagworte: | |
| Online-Zugang: | Inhaltsverzeichnis |
| Beschreibung: | XVI, 186 S. |
| ISBN: | 9027714886 |
Internformat
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| adam_text | 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 EDITED BY CHARLES A. WEATHERFORD
INSTITUTE FOR MOLECULAR COMPUTATIONS, FLORIDA A&M UNIVERSITY,
TALLAHASSEE, FLORIDA, U.S.A. AND HERBERT W. JONES PHYSICS DEPARTMENT,
FLORIDA A&M UNIVERSITY, TALLAHASSEE, FLORIDA, U.S.A.
UNIVERSITATSBIBLIOTHEK HANNOVER TECHNISCHE INFORMATIONSBIBLIOTHEK D.
REIDEL PUBLISHING COMPANY DORDRECHT, HOLLAND / BOSTON, U.S.A. / LONDON,
ENGLAND CONTENTS PREFACE INTRODUCTION 1 CHARLES A. WEATHERFORD AND
HERBERT W. JONES EXPERIENCE USING SPHERICAL HARMONIC EXPANSIONS TO
EVALUATE MOLECULAR INTEGRALS 3 RUSSELL M. PITZER ON THE EVALUATION OF
ETO MOLECULAR INTEGRALS BY SERIES EXPANSIONS USING COMPLETE FUNCTION
SETS 7 E. OTTO STEINBORN SCALED HYDROGENIC STURMIANS AS ETOS 29 C.A.
WEATHERFORD MULTI-CENTER INTEGRALS FROM THE GENERAL EXPANSION FORMULA
DEVELOPED PREVIOUSLY FOR SLATER ORBITALS 35 R.R. SHARMA THE PHILOSOPHY
AND STRATEGY FOR STO INTEGRAL EVALUATION USING THE C-MATRIX ALGEBRAIC
SINGLE-CENTER EXPANSION METHOD 53 HERBERT W. JONES EXPANSION OF A
FUNCTION ABOUT A DISPLACED CENTRE 61 M.A. RASHID RECENT PROGRESS ON
THREE-CENTER INTEGRALS USING FOURIER-TRANSFORM-EASED ANALYTICAL FORMULAS
73 H. DAVIS TODD, KENNETH C. DAIKER, ROBERT D. CLONEY, S.J., RICHARD K.
MOATS AND HARRIS J. SILVERSTONE TRANSLATION OF ANGULAR MOMENTUM
EIGENFUNCTIONS USING NUMERICAL SPHERICAL BESSEL TRANSFORMS 91 JAMES D.
TALMAN SPHERICAL-HARMONIC EXPANSION TECHNIQUES FOR MULTICENTER INTEGRALS
OVER STO S. A RE-EXAMINATION FOR VECTOR PROCESSING COMPUTERS 103 H.H.
MICHELS VI CONTENTS ONE-CENTER ELECTRON REPULSION INTEGRALS FOR SLATER
AND GAUSSIAN ORBITALS 123 RUSSELL M. PITZER A NUMERICAL STUDY ON THE
CHOICE OF BASIS SETS USED FOR TRANSLATING ETOS IN MULTI-CENTER LCAO
CALCULATIONS 129 B.L. JAIN AUXILIARY FUNCTIONS FOR STO MOLECULAR
INTEGRALS: SI, CI AND EI 135 FRANK E. HARRIS ON AUXILIARY FUNCTIONS IN
MOLECULAR INTEGRALS 141 MILAN RANDIC DISTRIBUTION OF MATRIX ELEMENTS FOR
WAVEFUNCTION COMPUTATIONS OF LARGE MOLECULAR SYSTEMS 157 PETER HABITZ
AND ENRICO CLEMENTI USE OF THE NEUMANN EXPANSION IN EVALUATION OF
MULTICENTER ELECTRON-REPULSION INTEGRALS FOR SLATER-TYPE ORBITALS 171
I.I. GUSEINOV DISPERSION ENERGY FROM ATOMIC FORM FACTORS 177 KER*FONG
LEE AUTHOR INDEX 181 SUBJECT INDEX 183
|
| any_adam_object | 1 |
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| author_facet | Weatherford, Charles A. |
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| illustrated | Not Illustrated |
| indexdate | 2024-07-09T17:05:45Z |
| institution | BVB |
| institution_GND | (DE-588)5511125-7 |
| isbn | 9027714886 |
| language | English |
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| physical | XVI, 186 S. |
| publishDate | 1982 |
| publishDateSearch | 1982 |
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| publisher | Reidel |
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| spelling | ETO multicenter molecular integrals proceedings of the first international conference held at Florida A&M Univ., Tallahassee, Florida, USA, Aug. 3 - 6, 1981 ed. by Charles A. Weatherford Dordrecht [u.a.] Reidel 1982 XVI, 186 S. txt rdacontent n rdamedia nc rdacarrier Molekülorbital (DE-588)4127526-3 gnd rswk-swf Quantenchemie (DE-588)4047979-1 gnd rswk-swf MO-Rechnung (DE-588)4170547-6 gnd rswk-swf (DE-588)1071861417 Konferenzschrift gnd-content Quantenchemie (DE-588)4047979-1 s DE-604 Molekülorbital (DE-588)4127526-3 s MO-Rechnung (DE-588)4170547-6 s Weatherford, Charles A. edt International Conference on ETO Multicenter Molecular Integrals 1 1981 Tallahassee, Fla. Sonstige (DE-588)5511125-7 oth GBV Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=004977839&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | ETO multicenter molecular integrals proceedings of the first international conference held at Florida A&M Univ., Tallahassee, Florida, USA, Aug. 3 - 6, 1981 Molekülorbital (DE-588)4127526-3 gnd Quantenchemie (DE-588)4047979-1 gnd MO-Rechnung (DE-588)4170547-6 gnd |
| subject_GND | (DE-588)4127526-3 (DE-588)4047979-1 (DE-588)4170547-6 (DE-588)1071861417 |
| title | ETO multicenter molecular integrals proceedings of the first international conference held at Florida A&M Univ., Tallahassee, Florida, USA, Aug. 3 - 6, 1981 |
| title_auth | ETO multicenter molecular integrals proceedings of the first international conference held at Florida A&M Univ., Tallahassee, Florida, USA, Aug. 3 - 6, 1981 |
| title_exact_search | ETO multicenter molecular integrals proceedings of the first international conference held at Florida A&M Univ., Tallahassee, Florida, USA, Aug. 3 - 6, 1981 |
| title_full | ETO multicenter molecular integrals proceedings of the first international conference held at Florida A&M Univ., Tallahassee, Florida, USA, Aug. 3 - 6, 1981 ed. by Charles A. Weatherford |
| title_fullStr | ETO multicenter molecular integrals proceedings of the first international conference held at Florida A&M Univ., Tallahassee, Florida, USA, Aug. 3 - 6, 1981 ed. by Charles A. Weatherford |
| title_full_unstemmed | ETO multicenter molecular integrals proceedings of the first international conference held at Florida A&M Univ., Tallahassee, Florida, USA, Aug. 3 - 6, 1981 ed. by Charles A. Weatherford |
| title_short | ETO multicenter molecular integrals |
| title_sort | eto multicenter molecular integrals proceedings of the first international conference held at florida a m univ tallahassee florida usa aug 3 6 1981 |
| title_sub | proceedings of the first international conference held at Florida A&M Univ., Tallahassee, Florida, USA, Aug. 3 - 6, 1981 |
| topic | Molekülorbital (DE-588)4127526-3 gnd Quantenchemie (DE-588)4047979-1 gnd MO-Rechnung (DE-588)4170547-6 gnd |
| topic_facet | Molekülorbital Quantenchemie MO-Rechnung Konferenzschrift |
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