Molecular Electron Densities and Density Functional TheoryRussell, J. Boyd (1997) Molecular Electron Densities and Density Functional Theory. Formula. Cuadernos de Ciencias Físico-Químicas y Matemáticas (4). pp. 5-28. ISSN 1137-4411
Official URL: http://www.euskomedia.org/analitica/188 AbstractRecent progresses in the calculation of electronic properties by means of densityfunctional methods will be reviewed. Particular attention will be paid to the comparison of the electron densities of small molecules calculated by use of various exchange and correlation functionals with the results of quadratic configuration interaction method. The prospects for the development and parametrization of new functionals for use in density functional methods from high-level ab initio electron densities will be summarized.
Repository Staff Only: item control page ¹Esta fecha corresponde a los datos de catalogación, no al propio documento. |
![[img]](http://hedatuz.euskomedia.org/6549/1/04005028.pdf.png)
