Linked coupled cluster Monte Carlo

A coupled cluster and Møller-Plesset perturbation theory study of the pressure induced phase transition in the LiH crystal

(2015) Andreas Grüneis   JOURNAL OF CHEMICAL PHYSICS

Unbiased reduced density matrices and electronic properties from full configuration interaction quantum Monte Carlo

(2015) Catherine Overy et al.   JOURNAL OF CHEMICAL PHYSICS

Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

(2014) Yihan Shao et al.   MOLECULAR PHYSICS

Sign problem in full configuration interaction quantum Monte Carlo: Linear and sublinear representation regimes for the exact wave function

(2014) James J. Shepherd et al.   PHYSICAL REVIEW B

The sign problem and population dynamics in the full configuration interaction quantum Monte Carlo method

(2012) J. S. Spencer et al.   JOURNAL OF CHEMICAL PHYSICS

An explicitly correlated approach to basis set incompleteness in full configuration interaction quantum Monte Carlo

(2012) George H. Booth et al.   JOURNAL OF CHEMICAL PHYSICS

Taming the First-Row Diatomics: A Full Configuration Interaction Quantum Monte Carlo Study

(2012) Deidre Cleland et al.   Journal of Chemical Theory and Computation

Towards an exact description of electronic wavefunctions in real solids

(2012) George H. Booth et al.   NATURE

Breaking the carbon dimer: The challenges of multiple bond dissociation with full configuration interaction quantum Monte Carlo methods

(2011) George H. Booth et al.   JOURNAL OF CHEMICAL PHYSICS

Natural Orbitals for Wave Function Based Correlated Calculations Using a Plane Wave Basis Set

(2011) Andreas Grüneis et al.   Journal of Chemical Theory and Computation

Approaching chemical accuracy using full configuration-interaction quantum Monte Carlo: A study of ionization potentials

(2010) George H. Booth et al.   JOURNAL OF CHEMICAL PHYSICS

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