Structure and ionization potentials of clusters containing heavy elements

Part 3: Mixed clusters of alkali and group V elementsFootnote†
This paper is dedicated to Professor Dr H. Preuss on the occasion of his retirement.
This paper is dedicated to Professor Dr H. Preuss on the occasion of his retirement.

Gudrun Igel-Mann Institut für Theoretische Chemie, Universität Stuttgart, D-70550, Stuttgart, Germany

Hermann Stoll Institut für Theoretische Chemie, Universität Stuttgart, D-70550, Stuttgart, Germany

Abstract

Mixed clusters M_nX_m of alkali (M = Li, Na, K, Rb, Cs) and heavy group V elements (X = As, Sb) up to n = 2 and m = 4 have been studied by valence ab initio SCF/CI calculations using energy-adjusted pseudopotentials. Several structures have been investigated and results are given for bond lengths, atomization energies and vertical ionization potentials of the ground states. The influence of core-valence correlation is discussed. Comparison with experimental and other theoretical values is made where possible.

Notes

This paper is dedicated to Professor Dr H. Preuss on the occasion of his retirement.

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Structure and ionization potentials of clusters containing heavy elements

Part 3: Mixed clusters of alkali and group V elementsFootnote†
This paper is dedicated to Professor Dr H. Preuss on the occasion of his retirement.
This paper is dedicated to Professor Dr H. Preuss on the occasion of his retirement.

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Structure and ionization potentials of clusters containing heavy elements

Part 3: Mixed clusters of alkali and group V elementsFootnote†This paper is dedicated to Professor Dr H. Preuss on the occasion of his retirement.This paper is dedicated to Professor Dr H. Preuss on the occasion of his retirement.

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Part 3: Mixed clusters of alkali and group V elementsFootnote†
This paper is dedicated to Professor Dr H. Preuss on the occasion of his retirement.
This paper is dedicated to Professor Dr H. Preuss on the occasion of his retirement.