Binding of hydrogen on benzene, coronene, and graphene from quantum Monte Carlo calculations

On the performance of van der Waals corrected-density functional theory in describing the atomic hydrogen physisorption on graphite

(2010) Ricardo M. Ferullo et al.   CHEMICAL PHYSICS LETTERS

MOLECULAR HYDROGEN FORMATION CATALYZED BY POLYCYCLIC AROMATIC HYDROCARBONS IN THE INTERSTELLAR MEDIUM

(2009) Valéry Le Page et al.   ASTROPHYSICAL JOURNAL

The water-benzene interaction: Insight from electronic structure theories

(2009) Jie Ma et al.   JOURNAL OF CHEMICAL PHYSICS

Continuum variational and diffusion quantum Monte Carlo calculations

(2009) R J Needs et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Chemical accuracy for the van der Waals density functional

(2009) Jiří Klimeš et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Equation of state of hexagonal closed packed iron under Earth’s core conditions from quantum Monte Carlo calculations

(2009) E. Sola et al.   PHYSICAL REVIEW B

Melting of Iron under Earth’s Core Conditions from Diffusion Monte Carlo Free Energy Calculations

(2009) Ester Sola et al.   PHYSICAL REVIEW LETTERS

Efficient Implementation of a van der Waals Density Functional: Application to Double-Wall Carbon Nanotubes

(2009) Guillermo Román-Pérez et al.   PHYSICAL REVIEW LETTERS

Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data

(2009) Alexandre Tkatchenko et al.   PHYSICAL REVIEW LETTERS

Hydrogen dissociation on Mg(0001) studied via quantum Monte Carlo calculations

(2008) M. Pozzo et al.   PHYSICAL REVIEW B

Structural properties and enthalpy of formation of magnesium hydride from quantum Monte Carlo calculations

(2008) M. Pozzo et al.   PHYSICAL REVIEW B