Krylov-projected quantum Monte Carlo Method
Physical Review Letters
MetadataShow full item record
Blunt, N., Alavi, A., & Booth, G. H. (2015). Krylov-projected quantum Monte Carlo Method. Physical Review Letters, 115 (050603)https://doi.org/10.1103/PhysRevLett.115.050603
We present an approach to the calculation of arbitrary spectral, thermal, and excited state properties within the full configuration interaction quzantum Monte Carlo framework. This is achieved via an unbiased projection of the Hamiltonian eigenvalue problem into a space of stochastically sampled Krylov vectors, thus, enabling the calculation of real-frequency spectral and thermal properties and avoiding explicit analytic continuation. We use this approach to calculate temperature-dependent properties and one- and two-body spectral functions for various Hubbard models, as well as isolated excited states in ab initio systems.
G.H.B gratefully acknowledges funding from the Royal Society. N.S.B acknowledges Trinity College, Cambridge for funding. This work has been supported by the EPSRC under grant no. EP/J003867/1.
External DOI: https://doi.org/10.1103/PhysRevLett.115.050603
This record's URL: https://www.repository.cam.ac.uk/handle/1810/249194
Attribution-NonCommercial 2.0 UK: England & Wales
Licence URL: http://creativecommons.org/licenses/by-nc/2.0/uk/
Recommended or similar items
The following licence files are associated with this item: