Coupled cluster theory for quantum many-body systems at finite temperature
- Creators
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White, Alec
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Chan, Garnet
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.
Additional Information
© 2018 American Chemical Society.Additional details
- Eprint ID
- 90574
- Resolver ID
- CaltechAUTHORS:20181101-132331223
- Created
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2018-11-01Created from EPrint's datestamp field
- Updated
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2020-03-09Created from EPrint's last_modified field