390 citations · 3.4k across the 66 of their papers we have counts for
5 papers · 1 filter
Stochastic multi-reference perturbation theory with application to linearized coupled cluster method
Guillaume Jeanmairet, Sandeep Sharma, Ali Alavi
In this article we report a stochastic evaluation of the recently proposed LCC multireference perturbation theory [Sharma S., and Alavi A., J. Chem. Phys. 143, 102815, (2015)]. In…
A Projector Quantum Monte Carlo Method for non-linear wavefunctions
Lauretta R. Schwarz, A. Alavi, George H. Booth
We reformulate the projected imaginary-time evolution of Full Configuration Interaction Quantum Monte Carlo in terms of a Lagrangian minimization. This naturally leads to the admis…
Semistochastic Heat-bath Configuration Interaction method: selected configuration interaction with semistochastic perturbation theory
Sandeep Sharma, Adam Holmes, Guillaume Jeanmairet +2
We extend the recently proposed heat-bath configuration interaction (HCI) method [Holmes, Tubman, Umrigar, J. Chem. Theory Comput. 12, 3674 (2016)], by introducing a semistochastic…
Combining internally contracted states and matrix product states to perform multireference perturbation theory
Sandeep Sharma, Gerald Knizia, Sheng Guo +1
We present two efficient and intruder-free methods for treating dynamic correlation on top of general multi-configuration reference wave functions---including such as obtained by t…
Assessment of Multireference Approaches to Explicitly Correlated Full Configuration Interaction Quantum Monte Carlo
Jennifer Kersten, George H. Booth, Ali Alavi
The Full Configuration Interaction Quantum Monte Carlo (FCIQMC) method has proved able to provide near-exact solutions to the electronic Schrödinger equation within a finite orbita…