Evaluating two-electron-repulsion integrals over arbitrary orbitals using zero variance Monte Carlo: Application to full configuration interaction calculations with Slater-type orbitals

Quantum Package 2.0: An Open-Source Determinant-Driven Suite of Programs

(2019) Yann Garniron et al.   Journal of Chemical Theory and Computation

Double precision is not needed for many-body calculations: Emergent conventional wisdom

(2018) Pavel Pokhilko et al.   Journal of Chemical Theory and Computation

Hybrid stochastic-deterministic calculation of the second-order perturbative contribution of multireference perturbation theory

(2017) Yann Garniron et al.   JOURNAL OF CHEMICAL PHYSICS

Cheap and Near Exact CASSCF with Large Active Spaces

(2017) James E. T. Smith et al.   Journal of Chemical Theory and Computation

Semistochastic Heat-Bath Configuration Interaction Method: Selected Configuration Interaction with Semistochastic Perturbation Theory

(2017) Sandeep Sharma et al.   Journal of Chemical Theory and Computation

Combining the Complete Active Space Self-Consistent Field Method and the Full Configuration Interaction Quantum Monte Carlo within a Super-CI Framework, with Application to Challenging Metal-Porphyrins

(2016) Giovanni Li Manni et al.   Journal of Chemical Theory and Computation

Breaking the Theoretical Scaling Limit for Predicting Quasiparticle Energies: The StochasticGWApproach

(2014) Daniel Neuhauser et al.   PHYSICAL REVIEW LETTERS

Stochastic evaluation of second-order many-body perturbation energies

(2012) Soohaeng Yoo Willow et al.   JOURNAL OF CHEMICAL PHYSICS

Expeditious Stochastic Approach for MP2 Energies in Large Electronic Systems

(2012) Daniel Neuhauser et al.   Journal of Chemical Theory and Computation

Stochastic Coupled Cluster Theory

(2010) Alex J. W. Thom   PHYSICAL REVIEW LETTERS

Fermion Monte Carlo without fixed nodes: A game of life, death, and annihilation in Slater determinant space

(2009) George H. Booth et al.   JOURNAL OF CHEMICAL PHYSICS