✦ LIBER ✦

Rapid Evaluation of Coulomb Integrals

✍ Scribed by Harris, Frank E.

Book ID: 115507057
Publisher: American Institute of Physics
Year: 1969
Tongue: English
Weight: 741 KB
Volume: 51
Category: Article
ISSN: 0021-9606
DOI: 10.1063/1.1671865

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📜 SIMILAR VOLUMES

Efficient and Rapid Evaluation of Three-

Efficient and Rapid Evaluation of Three-Center Two Electron Coulomb and Hybrid Integrals Using Nonlinear Transformations

✍ H. Safouhi; P.E. Hoggan 📂 Article 📅 1999 🏛 Elsevier Science 🌐 English ⚖ 111 KB

Among the two electron integrals occurring in the molecular context, the threecenter Coulomb and hybrid integrals are numerous and difficult to evaluate to high accuracy. The analytical and numerical difficulties arise mainly from the presence of the spherical Bessel function and hypergeometric seri

An extremely efficient approach for accu

An extremely efficient approach for accurate and rapid evaluation of three-centre two-electron Coulomb and hybrid integrals over B functions

✍ Safouhi, Hassan 📂 Article 📅 2001 🏛 Institute of Physics 🌐 English ⚖ 196 KB

Efficient and Rapid Numerical Evaluation

Efficient and Rapid Numerical Evaluation of the Two-Electron, Four-Center Coulomb Integrals Using Nonlinear Transformations and Useful Properties of Sine and Bessel Functions

✍ Hassan Safouhi 📂 Article 📅 2002 🏛 Elsevier Science 🌐 English ⚖ 134 KB

Two-electron, four-center Coulomb integrals are undoubtedly the most difficult type involved in ab initio and density functional theory molecular structure calculations. Millions of such integrals are required for molecules of interest; therefore rapidity is the primordial criterion when the precisi

Analytical evaluation of integrals over

Analytical evaluation of integrals over Coulomb wave functions

✍ R.K. Nesbet 📂 Article 📅 1988 🏛 Elsevier Science 🌐 English ⚖ 341 KB

Indefinite integrals of products of Coulomb wave functions over the interval (r, oc) can be evaluated by conversion to continued fractions. Examples are given of normalization and dipole transition integrals required in photoionization calculations.

Evaluation of Coulomb integrals with hyd

Evaluation of Coulomb integrals with hydrogenic and Slater-type orbitals

✍ Datta, S 📂 Article 📅 1985 🏛 Institute of Physics 🌐 English ⚖ 230 KB

Two-Center Coulomb Integrals

✍ Geller, Murray 📂 Article 📅 1964 🏛 American Institute of Physics 🌐 English ⚖ 404 KB