A very simple and efficient numerical method for evaluating the Madelung constants for cubic crystals, using cubes of increasing size, is proposed. The results of successful applications to the NaCl and CsCl ionic crystals, representative perovskite cubic lattices, and to a simple cubic metal are reported
Perovskites having the chemical formulae of ABX3 are promising candidates for various electronic, ma...
In the course of a study of chemical lattice sums [1] the authors considered sums such as (1.1) ∑′ (...
The classic Madelung problem is cast into an absolutely convergent form that is readily evaluated by...
A very simple and efficient numerical method for evaluating the Madelung constants for cubic crystal...
A simple, direct, and easily computable and convergent series obtained from the screened Coulomb pot...
In this research, after referring to the basic assumption of the theory of the binding energy of the...
National audienceUn algorithme de calcul de la constante de Madelung pour les cristaux hétéropolaire...
An algorithm is proposed by which the Madelung constants can be computed by direct summation with an...
Electrostatic potentials in ionic crystals have been calculated with direct summation of the Coulomb...
The lattice sums involved in the definition of Madelung’s constant of an NaCl-type crystal lattice i...
A simple method for the self-consistent calculation of the atomic charges and Madelung potentials in...
The Madelung constants of ionic solids relate to their geometry and electrostatic interactions. Furt...
A simple spreadsheet program is presented that can be used by undergraduate students to calculate th...
On the basis of the conventional model of heteropolar crystals it is shown that an irregular crystal...
1102-1103The Madelung constant of calcite-type lattices is calculated to high accuracy over a wide r...
Perovskites having the chemical formulae of ABX3 are promising candidates for various electronic, ma...
In the course of a study of chemical lattice sums [1] the authors considered sums such as (1.1) ∑′ (...
The classic Madelung problem is cast into an absolutely convergent form that is readily evaluated by...
A very simple and efficient numerical method for evaluating the Madelung constants for cubic crystal...
A simple, direct, and easily computable and convergent series obtained from the screened Coulomb pot...
In this research, after referring to the basic assumption of the theory of the binding energy of the...
National audienceUn algorithme de calcul de la constante de Madelung pour les cristaux hétéropolaire...
An algorithm is proposed by which the Madelung constants can be computed by direct summation with an...
Electrostatic potentials in ionic crystals have been calculated with direct summation of the Coulomb...
The lattice sums involved in the definition of Madelung’s constant of an NaCl-type crystal lattice i...
A simple method for the self-consistent calculation of the atomic charges and Madelung potentials in...
The Madelung constants of ionic solids relate to their geometry and electrostatic interactions. Furt...
A simple spreadsheet program is presented that can be used by undergraduate students to calculate th...
On the basis of the conventional model of heteropolar crystals it is shown that an irregular crystal...
1102-1103The Madelung constant of calcite-type lattices is calculated to high accuracy over a wide r...
Perovskites having the chemical formulae of ABX3 are promising candidates for various electronic, ma...
In the course of a study of chemical lattice sums [1] the authors considered sums such as (1.1) ∑′ (...
The classic Madelung problem is cast into an absolutely convergent form that is readily evaluated by...