Investigation of alkali-metal clusters with pseudopotential multireference double-excitation configuration interaction method |
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| Authors: | Gianfranco Pacchioni Hans-Ottmar Beckmann Jaroslav Koutecký |
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| Affiliation: | Institut für Physikalische Chemie. Freie Universität Berlin. 1000 Berlin 33, Germany |
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| Abstract: | Dimers and tetramers of Li, Na and K are studied utilizing an “ab initio” pseudopotential method followed by extensive multireference Cl. Results for Li and Na are compared with corresponding all-electron calculations. Geometry, optimization of K4 predicts a comparable stability for singlet rhombic and T-shaped forms and for the triplet square arrangement. |
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