Generalized valence bond wave functions in quantum Monte Carlo

Resonating valence bond wave function with molecular orbitals: Application to first-row molecules

(2009) Mariapia Marchi et al.   JOURNAL OF CHEMICAL PHYSICS

Excited states of methylene from quantum Monte Carlo

(2009) Paul M. Zimmerman et al.   JOURNAL OF CHEMICAL PHYSICS

Beryllium Dimer--Caught in the Act of Bonding

(2009) J. M. Merritt et al.   SCIENCE

Density Functionals with Broad Applicability in Chemistry

(2008) Yan Zhao et al.   ACCOUNTS OF CHEMICAL RESEARCH

Full optimization of Jastrow–Slater wave functions with application to the first-row atoms and homonuclear diatomic molecules

(2008) Julien Toulouse et al.   JOURNAL OF CHEMICAL PHYSICS

An optimized initialization algorithm to ensure accuracy in quantum Monte Carlo calculations

(2008) Daniel R. Fisher et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Heats of Formation of Triplet Ethylene, Ethylidene, and Acetylene†

(2007) Minh Tho Nguyen et al.   JOURNAL OF PHYSICAL CHEMISTRY A