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Of all the different areas in computational chemistry, density functional theory (DFT) enjoys the most rapid development. Even at the level of the local density approximation (LDA), which is computationally less demanding, DFT can usually provide better answers than Hartree-Fock formalism for large systems such as clusters and solids. For atoms and molecules, the results from DFT often rival those obtained by ab initio quantum chemistry, partly because larger basis sets can be used. Such encouraging results have in turn stimulated workers to further investigate the formal theory as well as...

El desarrollo de la ciencia y de la técnica subraya cotidianamente la importancia de la investigación científica. Con talento e imaginación el autor va desgranando los problemas intelectuales que ella provoca: conflicto entre razón y experiencia, entre ciencia y religión, entre formación y capacidad innata, entre investigación y enseñanza, entre ideología y tecnocracia; y propone una “ciencia con seso”, una ciencia con conciencia.

Biographies and bibliographies of members are included in many of the volumes. Lists of members are usually given on covers of the numbers.