AccurateAb InitioCalculation of Ionization Potentials of the First-Row Transition Metals with the Configuration-Interaction Quantum Monte Carlo Technique

Symmetry Breaking and Broken Ergodicity in Full Configuration Interaction Quantum Monte Carlo

(2014) Robert E. Thomas et al.   Journal of Chemical Theory and Computation

Quantum Monte Carlo ionization potential and electron affinity for transition metal atoms

(2013) E. Buendía et al.   CHEMICAL PHYSICS LETTERS

The effect of quantization on the full configuration interaction quantum Monte Carlo sign problem

(2013) M. H. Kolodrubetz et al.   JOURNAL OF CHEMICAL PHYSICS

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

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

Full configuration interaction perspective on the homogeneous electron gas

(2012) James J. Shepherd et al.   PHYSICAL REVIEW B

The CASSCF method: A perspective and commentary

(2011) Jeppe Olsen   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

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

Relativistic Douglas-Kroll-Hess theory

(2011) Markus Reiher   Wiley Interdisciplinary Reviews-Computational Molecular Science

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

Communications: Survival of the fittest: Accelerating convergence in full configuration-interaction quantum Monte Carlo

(2010) Deidre Cleland et al.   JOURNAL OF CHEMICAL PHYSICS

An arbitrary order Douglas–Kroll method with polynomial cost

(2009) Daoling Peng et al.   JOURNAL OF CHEMICAL PHYSICS

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