Symbolic calculation in chemistry: Selected examples (English)
- New search for: Barnett, Michael P.
- New search for: Capitani, Joseph F.
- New search for: von zur Gathen, Joachim
- New search for: Gerhard, Jürgen
- New search for: Barnett, Michael P.
- New search for: Capitani, Joseph F.
- New search for: von zur Gathen, Joachim
- New search for: Gerhard, Jürgen
In:
International Journal of Quantum Chemistry
;
100
, 2
;
80-104
;
2004
- Article (Journal) / Electronic Resource
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Title:Symbolic calculation in chemistry: Selected examples
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Contributors:Barnett, Michael P. ( author ) / Capitani, Joseph F. ( author ) / von zur Gathen, Joachim ( author ) / Gerhard, Jürgen ( author )
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Published in:International Journal of Quantum Chemistry ; 100, 2 ; 80-104
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Publisher:
- New search for: John Wiley & Sons, Inc.
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Publication date:2004-01-01
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Size:25 pages
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ISSN:
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DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:English
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Keywords:
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Source:
Table of contents – Volume 100, Issue 2
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 67
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In memory of Herbert W. Jones (1927–2002)Hoggan, Philip E. / Weatherford, Charles A. et al. | 2004
- 69
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Fast and stable algorithm for analytical evaluation of two‐center overlap integrals over Slater‐type orbitals with integer and noninteger principal quantum numbersÖzdoğan, Telhat et al. | 2004
- 80
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Symbolic calculation in chemistry: Selected examplesBarnett, Michael P. / Capitani, Joseph F. / von zur Gathen, Joachim / Gerhard, Jürgen et al. | 2004
- 105
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Are exponential‐type basis sets preferable to Gaussians?Shavitt, Isaiah et al. | 2004
- 109
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Overlap integrals for Dirac–Slater orbitalsTalman, James D. et al. | 2004
- 114
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Nonlocal potentials for short‐range electronic correlation in atoms, molecules, and solidsNesbet, R. K. et al. | 2004
- 121
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Many‐center Coulomb Sturmians and Shibuya–Wulfman integralsAvery, John et al. | 2004
- 131
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Electric field integrals for Slater‐type orbitalsFernández Rico, J. / López, R. / Ramírez, G. / Ema, I. et al. | 2004
- 142
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Efficient evaluation of the molecular auxiliary function Bn by downward recursionHarris, Frank E. et al. | 2004
- 146
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On the computation of (2‐2) three‐center Slater‐type orbital integrals of 1/r12 using Fourier‐transform‐based analytical formulasAntolovic, Danko / Silverstone, Harris J. et al. | 2004
- 155
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Density matrix force‐balance equation applied to He, Be, and Ne atoms and to almost‐spherical methane‐like moleculesHoward, I. A. / March, N. H. / Bartha, F. / Ray, A. K. / Zhang, M.‐L. et al. | 2004
- 166
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Wigner intracule for the Kellner helium‐like ionsGill, Peter M. W. / Besley, Nicholas A. / O'Neill, Darragh P. et al. | 2004
- 172
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Highly accurate numerical results for three‐center nuclear attraction and two‐electron Coulomb and exchange integrals over Slater‐type functionsSafouhi, Hassan et al. | 2004
- 184
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Electron‐impact single ionization cross sections of helium isoelectronic systemsUddin, M. Alfaz / Basak, A. K. / Saha, B. C. et al. | 2004
- 199
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Closed formulae for (1s|1s), Slater two‐center integrals, using the three‐center nuclear attraction integral program in spherical coordinatesJain, J. L. / Jones, H. W. / Weatherford, C. A. / Hoggan, P. E. et al. | 2004
- 206
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Unified analytical treatment of two‐electron multicenter integrals of central and noncentral interaction potentials over Slater orbitalsGuseinov, I. I. et al. | 2004
- 208
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Derivation of a general formula for the Shibuya–Wulfman matrixRed, Eddie / Weatherford, Charles A. et al. | 2004
- 214
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Choice of atomic orbitals to evaluate sensitive properties of molecules: An example of NMR chemical shiftsHoggan, Philip E. et al. | 2004
- 221
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Accuracy of the electrostatic theorem for high‐quality Slater and Gaussian basis setsFernández Rico, J. / López, R. / Ema, I. / Ramírez, G. et al. | 2004
- 231
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Electronic band structure evolution as a carbon sheet rolls up to a SWCNT and a SWCNT closes to a torus, by using extended SSH modelSünel, N. / Özsoy, O. et al. | 2004
- 236
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Overlap integrals with respect to quantum numbers over Slater‐type orbitals via the Fourier‐transform methodÖztekin, Emin et al. | 2004