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Springer eBooks

An Introduction to Cold and Ultracold Chemistry

Jesús Pérez‐Ríos

Published Jan 1, 2020• 51 citations
Publisher
DOI
10.1007/978-3-030-55936-6

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The present paper is related to a talk presented during the Symposium on Coherent Control and Ultracold Chemistry held during the Sixth Congress of the International Society for Theoretical Chemical Physics (ISTCP-VI, July 2008). The talk was entitled "Electronic structure properties of alkali dimers and trimers. Prospects for alignment of ultracold molecules". Here we report on the electrostatic repulsion forces of the ionic cores at short separation, involved when the potential energy surfaces of alkali trimers are calculated with a quantum chemistry approach based on effective large-core potentials for ionic core description. We demonstrate that such forces in the triatomic molecule can be obtained as the sum of three pairwise terms. We illustrate our results on the lowest electronic states of Cs$_3$, which are computed for the first time within a full configuration interaction based on a large Gaussian basis set. As a preliminary section, we also propose a brief introduction about the importance of alkali trimer systems in the context of cold and ultracold molecules.

•Jan 1, 2009•9 citations
In the last five years, a novel field of physics and chemistry has developed in which cold trapped ions and ultracold atomic gases are brought into contact with each other. Combining ion traps with traps for neutral atoms yields a variety of new possibilities for research and experiments. These range from studies of cold atom–ion collisions and atom–ion chemistry to applications in quantum information science and condensed matter related research. In this article we give a brief introduction into this new field and describe some of the perspectives for its future development.
The present paper is related to a talk presented during the Symposium on Coherent Control and Ultracold Chemistry held during the Sixth Congress of the International Society for Theoretical Chemical Physics (ISTCP-VI, July 2008). The talk was entitled "Electronic structure properties of alkali dimers and trimers. Prospects for alignment of ultracold molecules". Here we report on the electrostatic repulsion forces of the ionic cores at short separation, involved when the potential energy surfaces of alkali trimers are calculated with a quantum chemistry approach based on effective large-core potentials for ionic core description. We demonstrate that such forces in the triatomic molecule can be obtained as the sum of three pairwise terms. We illustrate our results on the lowest electronic states of Cs3_33​, which are computed for the first time within a full configuration interaction based on a large Gaussian basis set. As a preliminary section, we also propose a brief introduction about the importance of alkali trimer systems in the context of cold and ultracold molecules.