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

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

Multireference composite approaches for the accurate study of ground and excited electronic states: C2, N2, and O2

(2011) Wanyi Jiang et al.   JOURNAL OF CHEMICAL PHYSICS

Tensor factorizations of local second-order Møller–Plesset theory

(2011) Jun Yang et al.   JOURNAL OF CHEMICAL PHYSICS

Iterative variational approach to finite many-body systems

(2011) M. Sambataro et al.   PHYSICAL REVIEW B

The origin of peculiar molecular bands in cool DQ white dwarfs

(2010) P. M. Kowalski   ASTRONOMY & ASTROPHYSICS

On the inclusion of triple and quadruple electron excitations into MRCISD for multiple states

(2010) Yuriy G. Khait et al.   CHEMICAL PHYSICS LETTERS

In situ optical emission study on the role of C2 in the synthesis of single-walled carbon nanotubes

(2010) David Edmond Motaung et al.   JOURNAL OF APPLIED PHYSICS

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 adaptive coupled-cluster theory: @CC approach

(2010) Dmitry I. Lyakh et al.   JOURNAL OF CHEMICAL PHYSICS

Bonding Conundrums in the C2Molecule: A Valence Bond Study

(2010) Peifeng Su et al.   Journal of Chemical Theory and Computation

Stochastic Coupled Cluster Theory

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

Excited state calculations using phaseless auxiliary-field quantum Monte Carlo: Potential energy curves of low-lying C2 singlet states

(2009) Wirawan Purwanto 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

Extrapolation to the complete-basis-set limit and the implications of avoided crossings: The X Σ1g+, B Δ1g, and B′ Σ1g+ states of C2

(2008) A. J. C. Varandas   JOURNAL OF CHEMICAL PHYSICS

An optimized configuration interaction method for calculating electronic excitations in nanostructures

(2008) M C Troparevsky et al.   JOURNAL OF PHYSICS-CONDENSED MATTER