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#### Evaluation of the Hubbell radiation rectangular source integral using binomial coefficients

(Pergamon-Elsevier Science Ltd, 2004)

Using binomial coefficients a general series expansion formula is established for the integral I-q(a,b) = integral(0)(a) 1/(1 + b(2) + x(2))(q) dx with integer and noninteger values of g appearing in the evaluation of the ...

#### On evaluation of overlap integrals with noninteger principal quantum numbers

(Int Academic Publ, 2004)

By use of complete orthonormal sets of Psi(alpha) exponential-type orbitals (Psi(alpha)-ETOs, alpha = 1, 0, -1, -2,...) the series expansion formulas for the noninteger n* Slater-type orbitals (NISTOs) in terms of integer ...

#### Evaluation of multicenter electronic attraction, electric field and electric field gradient integrals with screened and nonscreened Coulomb potentials over integer and noninteger n slater orbitals

(Kluwer Academic/Plenum Publ, 2004)

By the use of complete orthonormal sets of psi(alpha)-exponential-type orbitals, where (alpha = 1, 0,- 1,- 2,...) the multicenter electronic attraction ( EA), electric field (EF) and electric field gradient (EFG) integrals ...

#### Algorithm for the storage of expansion coefficients for the product of associated Legendre functions in elliptical coordinates useful for the calculations of molecular integrals

(Elsevier, 2004)

An algorithm is presented for the generation and storage of expansion coefficients for the product of two associated Legendre functions both with different centers introduced by the one of authors [J. Phys. B 3 (1970) 1399] ...

#### Calculation of generalized secant integral using binomial coefficients

(Pergamon-Elsevier Science Ltd, 2004)

A single series expansion relation is derived for the generalized secant (GS) integral in terms of binomial coefficients, exponential integrals and incomplete gamma functions. The convergence of the series is tested by the ...

#### Evaluation of incomplete gamma functions using downward recursion and analytical relations

(Kluwer Academic/Plenum Publ, 2004)

New downward recursion and analytical approaches are presented for the calculation of incomplete gamma functions gamma (alpha, x) and Gamma(alpha, x). The efficiency of calculation with an adequate interval of these ...

#### Unified treatment of overlap integrals with integer and noninteger n Slater-type orbitals using translational and rotational transformations for spherical harmonics

(Canadian Science Publishing, 2004)

A unified treatment of two-center overlap integrals over Slater-type orbitals (STO) with integer and noninteger values of the principal quantum numbers is described. Using translation and rotation formulas for spherical ...

#### Evaluation of multicenter one-electron integrals of noninteger u screened Coulomb type potentials and their derivatives over noninteger n Slater orbitals

(Amer Inst Physics, 2004)

Multicenter integrals over noninteger n Slater type orbitals with integer and noninteger, values of indices u of screened Coulomb type potentials, f(u)(eta, r) = r(u-1) e(-etar), and their first and second derivatives with ...