Stochastic determination of effective Hamiltonian for the full configuration interaction solution of quasi-degenerate electronic states

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

Communication: Excited states, dynamic correlation functions and spectral properties from 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

Semistochastic Projector Monte Carlo Method

(2012) F. R. Petruzielo et al.   PHYSICAL REVIEW LETTERS

A study of electron affinities using the initiator approach to full configuration interaction quantum Monte Carlo

(2011) D. M. Cleland et al.   JOURNAL OF CHEMICAL PHYSICS

Evaluation of the performance of single root multireference coupled cluster method for ground and excited states, and its application to geometry optimization

(2011) Uttam Sinha Mahapatra et al.   JOURNAL OF CHEMICAL PHYSICS

Projector Monte Carlo method based on Slater determinants: a new sampling method for singlet state calculations

(2011) Yuhki Ohtsuka et al.   THEORETICAL CHEMISTRY ACCOUNTS

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

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

Projector Monte Carlo method based on Slater determinants: Test application to singlet excited states of H2O and LiF

(2009) Yuhki Ohtsuka et al.   CHEMICAL PHYSICS 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

Projector Monte Carlo method based on configuration state functions. Test applications to the H4 system and dissociation of LiH

(2008) Yuhki Ohtsuka et al.   CHEMICAL PHYSICS LETTERS