High-pressure transitions in bulk mercury: a density functional study

Accurate potential energy curves for the group 12 dimers Zn2, Cd2, and Hg2

(2011) Elke Pahl et al.   THEORETICAL CHEMISTRY ACCOUNTS

Long-range-corrected hybrids including random phase approximation correlation

(2009) Benjamin G. Janesko et al.   JOURNAL OF CHEMICAL PHYSICS

AunHgmClusters: Mercury Aurides, Gold Amalgams, or van der Waals Aggregates?†

(2009) Patryk Zaleski-Ejgierd et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Mercury dications: linear form is more stable than aromatic ring

(2009) Tibor Höltzl et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Accurate Bulk Properties from Approximate Many-Body Techniques

(2009) Judith Harl et al.   PHYSICAL REVIEW LETTERS

Ab-initiosimulations of materials using VASP: Density-functional theory and beyond

(2008) Jürgen Hafner   JOURNAL OF COMPUTATIONAL CHEMISTRY

Cohesive energy curves for noble gas solids calculated by adiabatic connection fluctuation-dissipation theory

(2008) Judith Harl et al.   PHYSICAL REVIEW B

Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces

(2008) John P. Perdew et al.   PHYSICAL REVIEW LETTERS