Recent Developments in Full Configuration Interaction Quantum Monte Carlo

量子物理学・ナノサイエンス第49回特別セミナー

概要

Full Configuration Interaction Quantum Monte Carlo (FCIQMC) is a stochastic technique for solving the electronic Schrödinger equation equation in the configuration interaction (CI) representation. Here we will present some recent developments in this methodology, including the extension to real-time propagation, which allows for the calculation of spectral functions along the real frequency axis, and photo-emission and inverse-photo-emission spectra.

If time allows, we will also present developments in using more sophisticated wavefunction ansatz than a linear CI expansion, including the transcorrelated method of Boys and Handy, which allows for a much more rapid convergence to the basis set limit.

• 量子物理学・ナノサイエンス第49回特別セミナー

• ナノサイエンス・量子物理学国際研究センター 主催
• 東京工業大学理学院・物理学系、「ナノサイエンスを拓く量子物理学拠点」,理学国際教育研究流動機構委員会 共催