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Molecular Physics

An International Journal at the Interface Between Chemistry and Physics

Volume 78, 1993 - Issue 5

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Original Articles

Universal Gaussian and slater-type bases for atoms H to Xe based on the generator coordinate Hartree-Fock method

II. Application of the Gaussian basis to neutral and charged diatomic molecules

A.B.F. Da Silva Departamento de Química e Física Molecular, Instituto de Física e Química de São Carlos, Universidade de São Paulo, PO Box 369, 13560, São Carlos, SP, Brazil; Department of Chemistry, Simon Fraser University, Burnaby, B.C., Canada, V5A 1S6

M. Trsic Departamento de Química e Física Molecular, Instituto de Física e Química de São Carlos, Universidade de São Paulo, PO Box 369, 13560, São Carlos, SP, Brazil

Pages 1301-1307 | Received 30 Jun 1992, Accepted 16 Sep 1992, Published online: 22 Aug 2006

Cite this article
https://doi.org/10.1080/00268979300100861

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Articles from other publishers (12)

W. F. D. Angelotti, R. L. A. Haiduke & M. Trsic. (2012) The generator coordinate method in the unrestricted Hartree-Fock formalism. International Journal of Quantum Chemistry 112:4, pages 941-947.
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Milan Trsic & Albérico B.F. da Silva. 2007. Electronic, Atomic and Molecular Calculations. Electronic, Atomic and Molecular Calculations 55 78 .

Rogério Custodio, André Severo Pereira Gomes, Fabrício Ronil Sensato & Júlio Murilo dos Santos Trevas. (2006) Analysis of the segmented contraction of basis functions using density matrix theory. Journal of Computational Chemistry 27:15, pages 1822-1829.
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Helena Duani, H�lio A. Duarte & Wagner B. De Almeida. (2003) Investigation of the quality of standard sulfur basis sets for molecules using a new generator coordinate method approach: Application to 2,2?-bithiophene. International Journal of Quantum Chemistry 95:2, pages 194-204.
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J.C. Pinheiro, M. Trsic & A.B.F. da Silva. (2001) Contracted Gaussian bases for the first-row atoms applied to neutral and charged diatomic molecules. Journal of Molecular Structure: THEOCHEM 539:1-3, pages 29-34.
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J. Murilo dos Santos Trevas & R. Custodio. (2001) On the improvement of compact basis sets by approximated integral transforms. Journal of Molecular Structure: THEOCHEM 539:1-3, pages 17-27.
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I.N Jardim, O.Treu Filho, M.A.U Martines, M.R Davolos, M JafelicciJr.Jr. & J.C Pinheiro. (1999) Ab initio study of high tridymite by the formalism generator coordinate Hartree–Fock. Journal of Molecular Structure: THEOCHEM 464:1-3, pages 15-21.
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F. E. Jorge, E. V. R. De Castro & A. B. F. Da Silva. (1997) A universal Gaussian basis set for atoms cerium through lawrencium generated with the generator coordinate Hartree-Fock method. Journal of Computational Chemistry 18:13, pages 1565-1569.
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J.C. Pinheiro, A.B.F. da Silva & M. Trsic. (1997) The generator coordinate Hartree-Fock method applied to the choice of a contracted gaussian basis for first-row atoms. Journal of Molecular Structure: THEOCHEM 394:2-3, pages 107-115.
Crossref

Herbert F. M. Dacosta, Milan Trsic & Alfredo M. Simas. (1997) Hydrogen-type orbitals in terms of Gaussian functions. International Journal of Quantum Chemistry 65:2, pages 143-150.
Crossref

J. C. Pinheiro, A. B. F. Da Silva & M. Trsic. (1997) Generator coordinate Hartree-Fock method applied to the choice of a contracted Gaussian basis for the second-row atoms. International Journal of Quantum Chemistry 63:5, pages 927-934.
Crossref

F. E. Jorge & A. B. F. da Silva. (1996) A generator coordinate version of the closed-shell Dirac–Fock equations. The Journal of Chemical Physics 104:16, pages 6278-6285.
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Universal Gaussian and slater-type bases for atoms H to Xe based on the generator coordinate Hartree-Fock method

II. Application of the Gaussian basis to neutral and charged diatomic molecules

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Universal Gaussian and slater-type bases for atoms H to Xe based on the generator coordinate Hartree-Fock method

II. Application of the Gaussian basis to neutral and charged diatomic molecules

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