Work

Young frames for quantum chemistry

Year: 2019
Type: preprint
Abstract: Quantum chemistry often considers atoms and molecules with non-zero spin. In such cases, the need for proper spin functions results in the theory of configuration state functions. Here, we consider the construction of such wavefunctions using the symmetric group and more specifically Young projectors. We discuss the formalism and detail an example to illustrate the theory. Additionally, we consider the pros and cons of specific implementations of spin symmetry in quantum simulation.
Language: English
Open Access status: green
OpenAlex ID: W2940979707
Cites: 19
Cited by: 1
Related to: 10