Capturing many-body correlation effects with quantum and classical computing

Understand

Theoretical descriptions of excited states of molecular systems in high-energy regimes are crucial for supporting and driving many experimental efforts at light source facilities.

• However, capturing their complicated correlation effects requires formalisms that provide a hierarchical infrastructure of approximations.
• These approximations lead to an increased overhead in classical computing methods, and therefore, decisions regarding the ranking of approximations and the quality of results must be made on purely numerical grounds.
• The emergence of quantum computing methods has the potential to change this situation.