Scientific Computing and Numerics (SCAN) Seminar

Fabian FaulstichRensselaer Polytechnic Institute
Coupled Cluster Theory — The Gold Standard of Quantum Chemistry

Monday, April 8, 2024 - 1:30pm
Gates 114

Linear algebra was great, but non-linear algebra is the future.” In the spirit of this quote, I will introduce the coupled cluster theory – a non-linear ansatz to approximate solutions to the electronic Schrödinger equation – which is arguably one of the most widely used methods in computational quantum chemistry. I will illustrate its theoretical underpinnings and elaborate on some of the most recent advances that include insights from algebraic geometry, quantum embedding, and optimization.