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Now showing items 1-10 of 36

#### Accurate Evaluation of the Specific Heat Capacity of Solids and its Application to MgO and ZnO Crystals

(Springer/Plenum Publishers, 2009)

Using binomial coefficients, new, simple, and efficient algorithms are presented for the accurate and fast calculation of the heat capacity of solids depending on the Debye temperature. As will be seen, the present formulation ...

#### Use of unsymmetrical one-range addition theorems of Slater type orbitals in molecular electronic structure determination

(Springer, 2009)

In this work, the applicability of the unsymmetrical one-range addition theorems obtained from the use of complete orthonormal sets of I(alpha)-exponential type orbitals (I(alpha)-ETOs, where alpha = 1, 0, - 1, - 2, ...) ...

#### USE OF BINOMIAL COEFFICIENTS IN FAST AND ACCURATE CALCULATION OF CLEBSCH-GORDAN AND GAUNT COEFFICIENTS, AND WIGNER n-j SYMBOLS

(World Scientific Publ Co Pte Ltd, 2009)

Using binomial coefficients, the new simple and efficient algorithms for the accurate and fast calculation of the Clebsch-Gordan and Gaunt coefficients, and Wigner n - j symbols for n = 3, 6, 9 are presented. For quick ...

#### An Efficient Approach for the Calculation of Nuclear Overlap Integrals by Means of Binomial Coefficients and Its Application

(Springer/Plenum Publishers, 2009)

This paper examines the computational efficiency of the method of evaluating nuclear overlap integrals commonly encountered in nuclear reactions. As will be seen, the present formulation yields compact closed-form expressions ...

#### Use of complete gamma function in accurate evaluation of Einstein integrals

(Iwa Publishing, 2008)

By the use of the binomial expansion theorem, the series expansion relations in terms of the complete gamma function are obtained for Einstein integrals arising in the hydraulic and modern sediment transport mechanics. The ...

#### Calculation of two-center nuclear attraction integral over Slater type orbital in molecular coordinate system using Lowdin alpha-radial function and Guseinov one-center charge density expansion formulae

(Univ Kragujevac, Fac Science, 2009)

The application of the Lowdin alpha-radial function and Guseinov one-center charge density expansion formulas in the accurate evaluation of two center nuclear attraction integrals over Slater type orbitals (STOs) is ...

#### Calculation of two-center overlap integral in molecular coordinate system over Slater type orbital using Lowdin alpha-radial and Guseinov rotation-angular functions

(Springer, 2008)

By use of Lowdin and Guseinov relations for the radial and angular part of two-center overlap integrals, respectively, the computer calculations of overlap integrals over Slater type orbitals (STOs) in molecular coordinate ...

#### Analytical evaluation of the Voigt function using binomial coefficients and incomplete gamma functions

(Oxford Univ Press, 2008)

Using the binomial expansion theorem, the simple general analytical expressions are obtained for the Voigt function arising in various fields of physical research. As we will seen, the present formulation yields compact ...

#### Accurate evaluation of the cubic lattice Green functions using binomial expansion theorems

(Springer/Plenum Publishers, 2008)

A new, simple, and efficient technique for the accurate evaluation of the lattice Green functions is presented. Using binomial expansion theorems, these functions are expressed through the binomial coefficients and basic ...