Recent Developments in Full Configuration Interaction QuantumMonte Carlo
講師
Professor Ali Alavi (Max Planck Institute for Solid State Physics, Germany and University of Cambridge, United Kingdom)
日付
2017年11月16日(木)
時間
16:00-
場所
本館 2階 H284A 物理学系輪講室
添付ファイル
内容
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.
連絡教員 物理学系 Bhanu Das(内線3045)