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Coupled cluster theory for quantum many-body systems at finite temperature

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.

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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)
Related URLs:
URLURL TypeDescription Website
White, Alec0000-0002-9743-1469
Chan, Garnet0000-0001-8009-6038
Additional Information:© 2018 American Chemical Society.
Record Number:CaltechAUTHORS:20181101-132331223
Persistent URL:
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:90574
Deposited By: Tony Diaz
Deposited On:01 Nov 2018 21:14
Last Modified:09 Mar 2020 13:19

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