Analytical evaluation of relativistic molecular integrals: III. Computation and results for molecular auxiliary functions

RENDICONTI LINCEI ◽

10.1007/s12210-020-00953-3 ◽

2020 ◽

Vol 31 (4) ◽

pp. 1089-1103

Author(s):

A. Bağcı ◽

P. E. Hoggan

Keyword(s):

Analytical Evaluation ◽

Auxiliary Functions ◽

Molecular Integrals ◽

Molecular Auxiliary Functions

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Analytical evaluation of relativistic molecular integrals. II: Method of computation for molecular auxiliary functions involved

RENDICONTI LINCEI ◽

10.1007/s12210-018-0734-3 ◽

2018 ◽

Vol 29 (4) ◽

pp. 765-775 ◽

Author(s):

Ali Bağcı ◽

Philip E. Hoggan ◽

Muzaffer Adak

Keyword(s):

Analytical Evaluation ◽

Auxiliary Functions ◽

Molecular Integrals ◽

Molecular Auxiliary Functions

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Analytical evaluation of relativistic molecular integrals. I. Auxiliary functions

RENDICONTI LINCEI ◽

10.1007/s12210-018-0669-8 ◽

2018 ◽

Vol 29 (1) ◽

pp. 191-197 ◽

Author(s):

Ali Bağcı ◽

Philip E. Hoggan

Keyword(s):

Analytical Evaluation ◽

Auxiliary Functions ◽

Molecular Integrals

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Computation of molecular integrals over Slater-type orbitals. V. Calculation of multicenter electron-repulsion integrals using auxiliary functions

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(99)00499-6 ◽

2000 ◽

Vol 528 (1-3) ◽

pp. 245-253 ◽

Author(s):

I.I. Guseinov ◽

B.A. Mamedov

Keyword(s):

Slater Type Orbitals ◽

Slater Type ◽

Auxiliary Functions ◽

Electron Repulsion ◽

Molecular Integrals ◽

Electron Repulsion Integrals

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Analytical Evaluation of Multicenter Multielectron Integrals of Central and Noncentral Interaction Potentials over Slater Orbitals Using Overlap Integrals and Auxiliary Functions

Journal of Mathematical Chemistry ◽

10.1023/b:jomc.0000038774.73562.19 ◽

2004 ◽

Vol 36 (2) ◽

pp. 83-91 ◽

Author(s):

I.I. Guseinov

Keyword(s):

Overlap Integrals ◽

Analytical Evaluation ◽

Interaction Potentials ◽

Auxiliary Functions ◽

Slater Orbitals ◽

Multicenter Multielectron Integrals

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Investigation of Certain Auxiliary Functions Occurring in the Study of Molecular Integrals

The Journal of Chemical Physics ◽

10.1063/1.1677128 ◽

1972 ◽

Vol 56 (12) ◽

pp. 5858-5862 ◽

Author(s):

Milan Randić

Keyword(s):

Auxiliary Functions ◽

Molecular Integrals

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Auxiliary Functions for STO Molecular Integrals: Si, Ci and Ei

ETO Multicenter Molecular Integrals ◽

10.1007/978-94-009-7921-5_13 ◽

1982 ◽

pp. 135-140

Author(s):

Frank E. Harris

Keyword(s):

Auxiliary Functions ◽

Molecular Integrals ◽

Sto Molecular Integrals

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Fast evaluation of molecular auxiliary functions A α and B n by analytical relations

Journal of Mathematical Chemistry ◽

10.1007/s10910-005-4527-4 ◽

2005 ◽

Vol 38 (1) ◽

pp. 21-26 ◽

Author(s):

I. I. Guseinov ◽

B. A. Mamedov

Keyword(s):

Fast Evaluation ◽

Auxiliary Functions ◽

Molecular Auxiliary Functions ◽

Analytical Relations

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On the calculation of arbitrary multielectron molecular integrals over Slater-type orbitals using recurrence relations for overlap integrals. III. Auxiliary functions and

International Journal of Quantum Chemistry ◽

10.1002/qua.10045 ◽

2002 ◽

Vol 86 (5) ◽

pp. 440-449 ◽

Author(s):

I. I. Guseinov ◽

B. A. Mamedov

Keyword(s):

Recurrence Relations ◽

Slater Type Orbitals ◽

Overlap Integrals ◽

Slater Type ◽

Auxiliary Functions ◽

Molecular Integrals

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Symbolic calculation of auxiliary functions for molecular integrals over slater orbitals

International Journal of Quantum Chemistry ◽

10.1002/(sici)1097-461x(2000)76:3<464::aid-qua15>3.0.co;2-e ◽

2000 ◽

Vol 76 (3) ◽

pp. 464-472 ◽

Author(s):

Michael P. Barnett

Keyword(s):

Symbolic Calculation ◽

Auxiliary Functions ◽

Slater Orbitals ◽

Molecular Integrals

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Analytical Evaluation of Multicenter Molecular Integrals. II. Three‐ and Four‐Center Coulombic Integrals over Hydrogenic Orbitals of Integral Principal Quantum Number

The Journal of Chemical Physics ◽

10.1063/1.1676662 ◽

1971 ◽

Vol 55 (8) ◽

pp. 3780-3785 ◽

Author(s):

Joseph S. Alper

Keyword(s):

Quantum Number ◽

Principal Quantum Number ◽

Analytical Evaluation ◽

Molecular Integrals

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