Roberto Di Remigio edited SMMP.md  about 8 years ago

Commit id: af22953e770a41bdb375be032a09129eaecf3d13

deletions | additions      

       

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: