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Roberto Di Remigio edited SMMP.md
about 8 years ago
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1. High accuracy means coupled cluster (CC) wave functions
2. Systems for which CC is an option are limited by its polynomial scaling
3. It is possible to reduce the scaling, _e.g._ by means of local approaches to the electron correlation problem,
but this has been proven to not be as effective for molecular properties as for energies
(cite Daniel's work here!)
* Devise the appropriate stochastic approach to the solution of response equations
1. We want the stochastic approach because it's (supposedly) embarassingly parallel.
...
State of the art:
*
QMC:
* Recent reviews on QMC approaches: \cite{Dubeck__2016} \cite{Austin_2012}, \cite{Towler_2006} and \cite{Foulkes_2001}
* Self-Healing QMC
* Auxiliary Field QMC
* Fermion QMC
* FCIQMC
* Stochastic Coupled Cluster: Thom introduces the FCIQMC-like stochastic algorithm for solving the CC equations \cite{Thom_2010}
The methods leverages the stochastic sampling strategies of the FCI wave function in a discrete Fock space first proposed by Alavi _et al._\cite{Booth_2009}
* Linked Coupled Cluster Monte Carlo: the stochastic algorithm for the solution of the CC equations in the linked (term-by-term size-extensive) form \cite{Franklin_2016}
* Initiator approximation: the same group proposes the initiator approximation for the CCMC algorithm \cite{Spencer_2016}
* Stochastic Møller-Plesset \cite{Thom_2007}
* Local approaches to QMC \cite{Manten_2003}, \cite{Williamson_2001}
* Response theory:
* Most recent review on wave function-based response theory \cite{Helgaker_2012}
* Foundational work \cite{Olsen_1985}, \cite{Christiansen_1998}, \cite{Paw_owski_2015}, \cite{Coriani_2016}
* CC response theory
* Local approaches to CC
* Local approaches to CC response theory
Problems to address: