White, Alec and Chan, Garnet (2018) Coupled cluster theory for quantum many-body systems at finite temperature. In: 256th American Chemical Society National Meeting & Exposition, 19-23 August 2018, Boston, MA. https://resolver.caltech.edu/CaltechAUTHORS:20181101-132331223
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Abstract
Coupled cluster theory is the one of the most accurate methods for detg. the electronic structure of medium-sized systems. Underlying this accuracy is a wavefunction ansatz which provides an app. for efficient re-summation of perturbation theory diagrams. We show how an analogous app. can be constructed for many-fermion systems at finite temp. using imaginary time integration. This novel formulation of coupled cluster theory offers a powerful hierarchy of approxns. for direct computation of the observables of quantum systems at finite temp. In this talk I will discuss the theory and some progress towards ab initio simulation of fermionic systems. Applications to some model problems and extensions to non-equil. systems will also be discussed.
Item Type: | Conference or Workshop Item (Paper) | ||||||
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Additional Information: | © 2018 American Chemical Society. | ||||||
Record Number: | CaltechAUTHORS:20181101-132331223 | ||||||
Persistent URL: | https://resolver.caltech.edu/CaltechAUTHORS:20181101-132331223 | ||||||
Usage Policy: | No commercial reproduction, distribution, display or performance rights in this work are provided. | ||||||
ID Code: | 90574 | ||||||
Collection: | CaltechAUTHORS | ||||||
Deposited By: | Tony Diaz | ||||||
Deposited On: | 01 Nov 2018 21:14 | ||||||
Last Modified: | 09 Mar 2020 13:19 |
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